Cyclohexane → HCID 67243508, compound

HRID 1114579Notes

Reaction equation

[CH2:41]1[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:22][cH:23]1)[CH2:6][C:7]([CH3:21])=[N:8][N:9]=[C:10]2[c:11]1[cH:12][c:13]([CH3:20])[c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]1.[Cl:24][C:25](=[O:26])[O:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:22][cH:23]1)[CH:6]=[C:7]([CH3:21])[N:8]([C:25](=[O:26])[O:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[N:9]=[C:10]2[c:11]1[cH:12][c:13]([CH3:20])[c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]1

Participants

Reactant 4

HCID 8078Cyclohexane

HCID 8471Triethylamine

HCID 15891Phenyl chloroformate

HCID 597463588-Chloro-4-methyl-1-(3-methyl-4-nitrophenyl)-5H-2,3-benzodiazepine

Product 1

HCID 67243508HCID 67243508, compound

Sources & evidence

ORD record: ord-d619abf7eeb64e0a8df72669e6e95e3b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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