Water → 4-(2-(5-amino-4-(7-methoxy-4-methylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetamido)-3-chlorobenzoic acid

HRID 303361Notes

Reaction equation

HRID 303361 reaction equation
[Cl:21][c:22]1[cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29][c:30]1[NH:31][C:32]([CH2:33][Cl:34])=[O:35].[NH2:1][c:2]1[n:3](-[c:8]2[cH:9][cH:10][c:11]([CH3:20])[c:12]3[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][c:17]23)[c:4]([SH:7])[n:5][n:6]1.[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH2:36]>>[NH2:1][c:2]1[n:3](-[c:8]2[cH:9][cH:10][c:11]([CH3:20])[c:12]3[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][c:17]23)[c:4]([S:7][CH2:33][C:32]([NH:31][c:30]2[c:22]([Cl:21])[cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]2)=[O:35])[n:5][n:6]1

Participants

5

Reactant 4

HCID 962WaterHCID 6228DimethylformamideHCID 573589673-Chloro-4-(2-chloroacetamido)benzoic acidHCID 178487445HCID 178487445, compound

Product 1

HCID 598131144-(2-(5-amino-4-(7-methoxy-4-methylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetamido)-3-chlorobenzoic acid

Sources & evidence

ORD record
ord-58108c9b190c414ca272ca3171496ae7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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