Acetic Acid → HCID 12275049, compound

HRID 1211684Notes

Reaction equation

HRID 1211684 reaction equation
[CH3:30][C:31](=[O:32])[OH:33].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH:34]([Cl:35])([Cl:36])[Cl:37].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][NH2:7])[c:8]([C:16]([F:17])([F:18])[F:19])[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[n:11]1.[Na+:39].[OH-:38].[OH2:40].[c:20]1([S:26](=[O:27])(=[O:28])[Cl:29])[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][NH:7][S:26]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)(=[O:27])=[O:28])[c:8]([C:16]([F:17])([F:18])[F:19])[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[n:11]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6212ChloroformHCID 7369Benzenesulfonyl chlorideHCID 8857Ethyl AcetateHCID 122750483-Pyridinecarboxylic acid, 2-amino-4,6-bis(trifluoromethyl)-, hydrazide

Product 1

HCID 12275049HCID 12275049, compound

Sources & evidence

ORD record
ord-36ec214675b542e987586bcff7f5b3b1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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