1,2-Dichloroethane → 2-({[3-(4-Chlorophenyl)-4-(2-fluorobenzyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetyl}amino)-2-[2-(trifluoromethyl)phenyl]ethyl carbamate

HRID 182573Notes

Reaction equation

HRID 182573 reaction equation
[C:41]([NH2:42])([O:43][CH2:44][CH:45]([c:46]1[c:47]([C:52]([F:53])([F:54])[F:55])[cH:48][cH:49][cH:50][cH:51]1)[NH2:56])=[O:57].[CH2:26]([Cl:27])[CH2:28][Cl:29].[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.[ClH:40].[ClH:58].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH:30][n:31]1[c:32]2[c:33]([cH:34][cH:35][cH:36][cH:37]2)[n:38][n:39]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:22][C:23](=[O:25])[NH:56][CH:45]([CH2:44][O:43][C:41]([NH2:42])=[O:57])[c:46]3[c:47]([C:52]([F:53])([F:54])[F:55])[cH:48][cH:49][cH:50][cH:51]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

7

Reactant 6

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 58012119[3-(4-chlorophenyl)-4-(2-fluorobenzyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-acetic acidHCID 59536751[2-Amino-2-[2-(trifluoromethyl)phenyl]ethyl] carbamate

Product 1

HCID 595367382-({[3-(4-Chlorophenyl)-4-(2-fluorobenzyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetyl}amino)-2-[2-(trifluoromethyl)phenyl]ethyl carbamate

Sources & evidence

ORD record
ord-f69163e13ab84a77a55808c01e50faa5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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