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Topic: ChatGPT/Chemical synthesis  (Read 1270 times)

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Offline rolnor

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ChatGPT/Chemical synthesis
« on: June 16, 2023, 06:12:36 PM »
Have you tried ChatGPT? It is scary good on chemical synthesis, it can be wrong, but its scary. Very, very fast and often correct or half-corrct.

Offline spirochete

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Re: ChatGPT/Chemical synthesis
« Reply #1 on: June 16, 2023, 11:47:13 PM »
That's interesting you had some success. I just tried on https://chat.openai.com. It gave me some wacky nonsense! It started with step 1 by protecting acetone as an acetal and then reacting the acetal with a grignard reagent.

Here is the full transcript, where I asked it change acetone to an aminoketone with some new alkyl groups. It seems like a simple thing to give a basic idea (alpha alkylation and do mannich type reaction, I am not sure of every detail)

"Converting acetone to 1-amino-4-methyl-3-pentanone involves several synthetic steps. Here's a proposed synthesis route:

Step 1: Protecting the carbonyl group
To protect the carbonyl group in acetone, we can use a protecting group such as a dioxolane. This can be achieved by reacting acetone with 1,3-propanediol in the presence of an acid catalyst. The reaction forms the corresponding dioxolane derivative of acetone.

Step 2: Conversion of the dioxolane to the corresponding ketone
The protected acetone can be converted to the desired ketone by reacting it with a methyl Grignard reagent. This reaction will replace the dioxolane moiety with a methyl group, yielding the protected form of 1-amino-4-methyl-3-pentanone.

Step 3: Deprotection of the carbonyl group
To remove the protecting group, the protected ketone is subjected to acidic conditions, typically using a strong acid such as hydrochloric acid or sulfuric acid. The acid catalyzes the hydrolysis of the dioxolane, resulting in the restoration of the original ketone functionality.

Step 4: Amination of the ketone
Finally, the ketone can be converted to the desired 1-amino-4-methyl-3-pentanone by introducing the amino group. This can be achieved by reacting the ketone with an amine, such as methylamine, in the presence of a suitable catalyst or reagent. The reaction will form an imine intermediate, which can be reduced using a reducing agent, such as sodium cyanoborohydride or sodium borohydride, to yield the corresponding amine product."

Offline Borek

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Re: ChatGPT/Chemical synthesis
« Reply #2 on: June 17, 2023, 03:27:49 AM »
I suggest you read this text by Wolfram:

https://writings.stephenwolfram.com/2023/02/what-is-chatgpt-doing-and-why-does-it-work/

In short: ChatGPT is not designed nor trained to deliver a factually correct information, it is designed and trained to generate text that looks as something someone wrote. It is surprisingly often correct, at the same time if its training didn't cover something it will just randomly "hallucinate" to fill the space with text, it won't ever write "I have no idea".
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Offline rolnor

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Re: ChatGPT/Chemical synthesis
« Reply #3 on: June 18, 2023, 01:21:40 AM »
I have seen that to, it wrights nonsense, but often not. Its strange they not includ a number after each answer, like "this is 30% likely to be correct, this is 0% likely, 60%" etc.
I should be honnest, I have not tried it a lot, but it did understand that you can not alkylate a nitrogen without hydrogens without getting a quaternary compound. I will test it some more, maybe I am fooled by the certainty and speed it delivers. Thanx for the heads up!

Offline rolnor

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Re: ChatGPT/Chemical synthesis
« Reply #4 on: June 18, 2023, 01:25:12 AM »
This is an answer retreived in 5seconds

Offline rolnor

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Re: ChatGPT/Chemical synthesis
« Reply #5 on: June 18, 2023, 01:30:59 AM »
look at this, this is PhD level, at least;


Offline Borek

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Re: ChatGPT/Chemical synthesis
« Reply #6 on: June 18, 2023, 03:21:55 AM »
Its strange they not includ a number after each answer, like "this is 30% likely to be correct, this is 0% likely, 60%" etc.

Please read the linked article, you will see why they can't - there is no such knowledge.
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Offline Borek

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Offline rolnor

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Re: ChatGPT/Chemical synthesis
« Reply #8 on: June 18, 2023, 06:50:10 AM »
I have read about the "guess the next word" principle of AI chatbots. I understand that now, ranking quality of answers  is impossible. But in the future it will be. What we see now is not an infant, its a mere embryo of what is coming. If you look at the answer for my last question, about the palladium(0), you must be impressed. Its definetly not nonsens or hallucinations. And again, this is just at the very start of things to come. Imagine an AI that has access to the full CAS-online, that is superintelligent. This is maybe just 5 years ahead.

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