Dimethylamine → 5-chloro-2-[3-(2-dimethylaminoacetamidomethyl)-5-methyl-4H-1,2,4-triazol-4-yl]-benzophenone

HRID 301054Notes

Reaction equation

HRID 301054 reaction equation
[CH3:28][NH:29][CH3:30].[CH3:31][OH:32].[CH:33]([Cl:34])([Cl:35])[Cl:36].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:16]2[c:17]([CH2:22][NH:23][C:24]([CH2:25][Cl:26])=[O:27])[n:18][n:19][c:20]2[CH3:21])[c:6]([C:7](=[O:8])[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:16]2[c:17]([CH2:22][NH:23][C:24]([CH2:25][N:29]([CH3:28])[CH3:30])=[O:27])[n:18][n:19][c:20]2[CH3:21])[c:6]([C:7](=[O:8])[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15]1

Participants

5

Reactant 4

HCID 674DimethylamineHCID 887MethanolHCID 6212ChloroformHCID 155678665-chloro-2-[3-(2-chloroacetamidomethyl)-5-methyl-4H-1,2,4-triazol-4-yl]-benzophenone

Product 1

HCID 213257115-chloro-2-[3-(2-dimethylaminoacetamidomethyl)-5-methyl-4H-1,2,4-triazol-4-yl]-benzophenone

Sources & evidence

ORD record
ord-e3f7d0ff0dc24a47b60999d8f2aa6bf3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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