Dimethylformamide → N-[[4-chloro-3-[[4-chloro-5-[2-(methoxymethyl)pyrrolidin-1-yl]-2-nitrophenyl]carbamothioylamino]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

HRID 2320863Notes

Reaction equation

HRID 2320863 reaction equation
[Cl:20][c:21]1[c:22]([N:33]2[CH:34]([CH2:38][O:39][CH3:40])[CH2:35][CH2:36][CH2:37]2)[cH:23][c:24]([N:30]=[C:31]=[S:32])[c:25]([N+:27](=[O:28])[O-:29])[cH:26]1.[NH2:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][C:7](=[O:8])[C:9]2([C:12]([F:13])([F:14])[F:15])[CH2:10][CH2:11]2)[cH:16][cH:17][c:18]1[Cl:19].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[NH:1]([c:2]1[cH:3][c:4]([CH2:5][NH:6][C:7](=[O:8])[C:9]2([C:12]([F:13])([F:14])[F:15])[CH2:10][CH2:11]2)[cH:16][cH:17][c:18]1[Cl:19])[C:31]([NH:30][c:24]1[cH:23][c:22]([N:33]2[CH:34]([CH2:38][O:39][CH3:40])[CH2:35][CH2:36][CH2:37]2)[c:21]([Cl:20])[cH:26][c:25]1[N+:27](=[O:28])[O-:29])=[S:32]

Participants

4

Reactant 3

HCID 6228DimethylformamideHCID 59529866N-(3-amino-4-chlorobenzyl)-1-(trifluoromethyl)cyclopropanecarboxamideHCID 885322351-(2-Chloro-5-isothiocyanato-4-nitrophenyl)-2-(methoxymethyl)pyrrolidine

Product 1

HCID 89251704N-[[4-chloro-3-[[4-chloro-5-[2-(methoxymethyl)pyrrolidin-1-yl]-2-nitrophenyl]carbamothioylamino]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

Sources & evidence

ORD record
ord-31b70891ba5b464c8f4001889d8ba7c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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