Dichloromethane → 5-(4-Chloro-phenyl)-1-(2-chloro-phenyl)-4-cyanomethyl-1H-pyrazole-3-carboxylic acid [1-(4-bromo-phenyl)-ethyl]-amide

HRID 2155143Notes

Reaction equation

HRID 2155143 reaction equation
[Br:47][c:48]1[cH:49][cH:50][c:51]([CH:54]([CH3:55])[NH2:56])[cH:52][cH:53]1.[CH3:1][CH2:2][N:3]=[C:4]=[N:5][CH2:6][CH2:7][CH2:8][N:9]([CH3:10])[CH3:11].[Cl:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[c:20]([CH2:34][C:35]#[N:36])[c:21]([C:31](=[O:32])[OH:33])[n:22][n:23]2-[c:24]2[c:25]([Cl:30])[cH:26][cH:27][cH:28][cH:29]2)[cH:17][cH:18]1.[Cl:57][CH2:58][Cl:59].[OH:37][n:38]1[c:39]2[c:40]([cH:41][cH:42][cH:43][cH:44]2)[n:45][n:46]1>>[Cl:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[c:20]([CH2:34][C:35]#[N:36])[c:21]([C:31](=[O:32])[NH:56][CH:54]([c:51]3[cH:50][cH:49][c:48]([Br:47])[cH:53][cH:52]3)[CH3:55])[n:22][n:23]2-[c:24]2[c:25]([Cl:30])[cH:26][cH:27][cH:28][cH:29]2)[cH:17][cH:18]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 911751-(4-Bromophenyl)ethylamineHCID 591463351-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-1H-pyrazole-3-carboxylic acid

Product 1

HCID 591463265-(4-Chloro-phenyl)-1-(2-chloro-phenyl)-4-cyanomethyl-1H-pyrazole-3-carboxylic acid [1-(4-bromo-phenyl)-ethyl]-amide

Sources & evidence

ORD record
ord-85e148bb8da6475e85df8acca06b2771
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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