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

HRID 2137310Notes

Reaction equation

HRID 2137310 reaction equation
[CH3:41][CH2:42][OH:43].[Cl:1][c:2]1[c:3]([NH:19][C:20](=[S:21])[NH:22][c:23]2[c:24]([N+:38]([O-:39])=[O:40])[cH:25][c:26]([Cl:37])[c:27]([N:29]3[CH:30]([CH2:34][O:35][CH3:36])[CH2:31][CH2:32][CH2:33]3)[cH:28]2)[cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[C:10]2([C:13]([F:14])([F:15])[F:16])[CH2:11][CH2:12]2)[cH:17][cH:18]1>>[Cl:1][c:2]1[c:3]([NH:19][C:20](=[S:21])[NH:22][c:23]2[c:24]([NH2:38])[cH:25][c:26]([Cl:37])[c:27]([N:29]3[CH:30]([CH2:34][O:35][CH3:36])[CH2:31][CH2:32][CH2:33]3)[cH:28]2)[cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[C:10]2([C:13]([F:14])([F:15])[F:16])[CH2:11][CH2:12]2)[cH:17][cH:18]1

Participants

3

Reactant 2

HCID 702EthanolHCID 89251704N-[[4-chloro-3-[[4-chloro-5-[2-(methoxymethyl)pyrrolidin-1-yl]-2-nitrophenyl]carbamothioylamino]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

Product 1

HCID 89251714N-[[3-[[2-amino-4-chloro-5-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl]carbamothioylamino]-4-chlorophenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

Sources & evidence

ORD record
ord-caaeb8026cf047c1bea3ee7834eab443
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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