Allyl Isothiocyanate → 2-(2,6-dichlorophenylamino)-3-methyl-5-(3-allyl-thioureido)-3H-benzimidazole-4-carboxylic acid amide

HRID 192920

Reaction equation

HRID 192920 reaction equation
[CH2:24]([CH:25]=[CH2:26])[N:27]=[C:28]=[S:29].[NH2:1][c:2]1[c:3]([C:21](=[O:22])[NH2:23])[c:4]2[c:5]([n:6][c:7]([NH:10][c:11]3[c:12]([Cl:18])[cH:13][cH:14][cH:15][c:16]3[Cl:17])[n:8]2[CH3:9])[cH:19][cH:20]1.[O:30]=[CH:31][N:32]([CH3:33])[CH3:34]>>[NH:1]([c:2]1[c:3]([C:21](=[O:22])[NH2:23])[c:4]2[c:5]([n:6][c:7]([NH:10][c:11]3[c:12]([Cl:18])[cH:13][cH:14][cH:15][c:16]3[Cl:17])[n:8]2[CH3:9])[cH:19][cH:20]1)[C:28]([NH:27][CH2:24][CH:25]=[CH2:26])=[S:29]

Participants

4

Reactant 3

HCID 5971Allyl IsothiocyanateHCID 6228DimethylformamideHCID 113939665-Amino-2-(2,6-dichlorophenylamino)-3-methyl-3H-benzoimidazole-4-carboxylic acid amide

Product 1

HCID 229015642-(2,6-dichlorophenylamino)-3-methyl-5-(3-allyl-thioureido)-3H-benzimidazole-4-carboxylic acid amide

Sources & evidence

ORD record
ord-b66118d1e5dd45fd9428e56799754521
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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