Ethanol → 3-(4-chlorophenylthio)-1-[N-(6-chloro-3-pyridylmethyl)-N-ethylamino]-1-methylamino-2-nitro-1-propene

Reaction equation

[CH2:27]=[O:28].[CH3:29][CH2:30][OH:31].[Cl:19][c:20]1[cH:21][cH:22][c:23]([SH:26])[cH:24][cH:25]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][N:9]([CH2:10][CH3:11])[C:12](=[CH:13][N+:14](=[O:15])[O-:16])[NH:17][CH3:18])[cH:6][n:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][N:9]([CH2:10][CH3:11])[C:12](=[C:13]([N+:14](=[O:15])[O-:16])[CH2:27][S:26][c:23]2[cH:22][cH:21][c:20]([Cl:19])[cH:25][cH:24]2)[NH:17][CH3:18])[cH:6][n:7]1

Participants

Reactant 4

HCID 702Ethanol

HCID 712Formaldehyde

HCID 7815p-Chlorothiophenol

HCID 86457N-((6-Chloro-3-pyridinyl)methyl)-N-ethyl-N'-methyl-2-nitro-1,1-ethenediamine

Product 1

HCID 867488233-(4-chlorophenylthio)-1-[N-(6-chloro-3-pyridylmethyl)-N-ethylamino]-1-methylamino-2-nitro-1-propene

Sources & evidence

ORD record: ord-aeb0a486aff84195bcac21f1a26830ff
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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