Hydrochloric Acid → Hydrochloric Acid

HRID 2162239Notes

Reaction equation

HRID 2162239 reaction equation
[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[ClH:35].[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH2:8][S:9][c:10]2[n:11][cH:12][cH:13][cH:14][c:15]2[C:16](=[O:17])[N:18]([c:19]2[cH:20][c:21]([CH3:26])[cH:22][c:23]([CH3:25])[cH:24]2)[CH2:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[cH:7]1>>[ClH:35].[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH2:8][S:9][c:10]2[n:11][cH:12][cH:13][cH:14][c:15]2[C:16](=[O:17])[N:18]([c:19]2[cH:20][c:21]([CH3:26])[cH:22][c:23]([CH3:25])[cH:24]2)[CH2:27][C:28](=[O:29])[OH:30])[cH:7]1

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 231508722-(2-Aminopyridin-4-ylmethylthio)-N-(tert-butoxycarbonylmethyl)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide

Product 2

HCID 313Hydrochloric AcidHCID 231510482-(N-[2-[(2-amino-4-pyridinyl)methylsulfanyl]pyridine-3-carbonyl]-3,5-dimethylanilino)acetic acid

Sources & evidence

ORD record
ord-a00e31025833449f978e4899c16103a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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