Formic Acid → 4-(3-Chloro-phenyl)-2-[2-nitro-5-(2-oxo-ethyl)-phenylamino]-thiazole-5-carboxylic acid amide

HRID 155410Notes

Reaction equation

HRID 155410 reaction equation
[CH:32]([OH:33])=[O:34].[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10]([NH:16][c:17]3[c:18]([N+:29](=[O:30])[O-:31])[cH:19][cH:20][c:21]([CH2:23][CH:24]([O:25][CH3:28])[O:26][CH3:27])[cH:22]3)[s:11][c:12]2[C:13](=[O:14])[NH2:15])[cH:5][cH:6][cH:7]1.[OH2:35]>>[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10]([NH:16][c:17]3[c:18]([N+:29](=[O:30])[O-:31])[cH:19][cH:20][c:21]([CH2:23][CH:24]=[O:25])[cH:22]3)[s:11][c:12]2[C:13](=[O:14])[NH2:15])[cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 284Formic AcidHCID 962WaterHCID 866428114-(3-Chloro-phenyl)-2-[5(2,2-dimethoxy-ethyl)-2-nitro-phenylamino]-thiazole-5-carboxylic acid amide

Product 1

HCID 866428124-(3-Chloro-phenyl)-2-[2-nitro-5-(2-oxo-ethyl)-phenylamino]-thiazole-5-carboxylic acid amide

Sources & evidence

ORD record
ord-148ea3cee01e4d608f76a51712d88aee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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