Benzene → HCID 86595906, compound
Reaction equation
[CH3:10][O:11][c:12]1[cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][c:19]([O:22][CH3:23])[c:20]1[CH3:21].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl:50][CH2:51][Cl:52].[NH2:24][CH2:25][c:26]1[c:27]([N+:41](=[O:42])[O-:43])[cH:28][c:29]([CH2:30][NH:31][C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[cH:39][cH:40]1.[O:1]=[CH:2][N:3]([CH3:4])[CH3:5].[S:6]([Cl:7])([Cl:8])=[O:9].[cH:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[CH3:10][O:11][c:12]1[cH:13][c:14]([C:15](=[O:17])[NH:24][CH2:25][c:26]2[c:27]([N+:41](=[O:42])[O-:43])[cH:28][c:29]([CH2:30][NH:31][C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[cH:39][cH:40]2)[cH:18][c:19]([O:22][CH3:23])[c:20]1[CH3:21]Participants
8
Sources & evidence
- ORD record
- ord-6f1a59fa568a4136bce70511704b2347
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…