1,2-Dichloroethane → 2-[3-(4-chlorophenyl)-4-(2-fluorobenzyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[2-(2-trifluoromethyl-phenyl)ethyl]-acetamide

HRID 1535936Notes

Reaction equation

HRID 1535936 reaction equation
[CH2:36]([Cl:37])[CH2:38][Cl:39].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:22][C:23](=[O:24])[OH:25])[c:11](=[O:21])[n:12]2[CH2:13][c:14]2[c:15]([F:20])[cH:16][cH:17][cH:18][cH:19]2)[cH:6][cH:7]1.[F:40][C:41]([c:42]1[c:43]([CH2:48][CH2:49][NH2:50])[cH:44][cH:45][cH:46][cH:47]1)([F:51])[F:52].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH:26][n:27]1[c:28]2[c:29]([cH:30][cH:31][cH:32][cH:33]2)[n:34][n:35]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:22][C:23](=[O:24])[NH:50][CH2:49][CH2:48][c:43]3[c:42]([C:41]([F:40])([F:51])[F:52])[cH:47][cH:46][cH:45][cH:44]3)[c:11](=[O:21])[n:12]2[CH2:13][c:14]2[c:15]([F:20])[cH:16][cH:17][cH:18][cH:19]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 698832-(Trifluoromethyl)phenethylamineHCID 757711-HydroxybenzotriazoleHCID 58012119[3-(4-chlorophenyl)-4-(2-fluorobenzyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-acetic acid

Product 1

HCID 580120112-[3-(4-chlorophenyl)-4-(2-fluorobenzyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[2-(2-trifluoromethyl-phenyl)ethyl]-acetamide

Sources & evidence

ORD record
ord-127bf195865f460aae632abc267ab61b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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