Chloride → [(2-Chloro-4-fluoro-phenyl)-(4-nitro-1H-indol-3-yl)-methyl]-dimethyl-amine

Reaction equation

[CH3:36][NH:37][CH3:38].[Cl-:13].[Cl:14][c:15]1[c:16]([CH:17]=[N+:18]([CH3:19])[CH3:20])[cH:21][cH:22][c:23]([F:25])[cH:24]1.[Cl:26][c:27]1[cH:28][c:29]([F:30])[cH:31][cH:32][c:33]1[CH:34]=[O:35].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]2[cH:6][cH:7][nH:8][c:9]2[cH:10][cH:11][cH:12]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]2[c:6]([CH:17]([c:16]3[c:15]([Cl:14])[cH:24][c:23]([F:25])[cH:22][cH:21]3)[N:18]([CH3:19])[CH3:20])[cH:7][nH:8][c:9]2[cH:10][cH:11][cH:12]1

Participants

Reactant 5

HCID 312Chloride

HCID 674Dimethylamine

HCID 1450242-Chloro-4-fluorobenzaldehyde

HCID 1457664-Nitro-1H-indole

HCID 21985316(2-Chloro-4-fluorophenyl)methylidene-dimethylazanium

Product 1

HCID 21985305[(2-Chloro-4-fluoro-phenyl)-(4-nitro-1H-indol-3-yl)-methyl]-dimethyl-amine

Sources & evidence

ORD record: ord-250ac129c80243459dbbf9ba348d3e4c
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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