Hexane → HCID 68815880, compound
Reaction equation
[CH3:19][O:20][C:21]([c:22]1[c:23]([NH2:29])[cH:24][c:25]([Cl:28])[cH:26][cH:27]1)=[O:30].[CH3:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36].[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]([C:11](=[O:12])[OH:13])[CH3:14])[cH:8][cH:9]1.[S:15]([Cl:16])([Cl:17])=[O:18]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]([C:11](=[O:13])[NH:29][c:23]2[c:22]([C:21]([O:20][CH3:19])=[O:30])[cH:27][cH:26][c:25]([Cl:28])[cH:24]2)[CH3:14])[cH:8][cH:9]1Participants
6
Sources & evidence
- ORD record
- ord-0756bc218c06475f9d866733e45ac1ec
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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