Benzene → HCID 19822257, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[cH:6][c:7]2[c:12]([cH:13][c:14]1[C:15]([CH2:16][C:17]([CH3:18])([CH3:19])[CH3:20])([CH3:21])[CH3:22])[O:11][C:10]([CH2:23][O:24][c:25]1[cH:26][cH:27][c:28]([N+:31]([O-:32])=[O:33])[cH:29][cH:30]1)([CH3:34])[CH2:9][C:8]2=[O:35].[CH3:38][OH:39].[H:36][H:37].[cH:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[cH:6][c:7]2[c:12]([cH:13][c:14]1[C:15]([CH2:16][C:17]([CH3:18])([CH3:19])[CH3:20])([CH3:21])[CH3:22])[O:11][C:10]([CH2:23][O:24][c:25]1[cH:26][cH:27][c:28]([NH2:31])[cH:29][cH:30]1)([CH3:34])[CH2:9][C:8]2=[O:35]Participants
5
Sources & evidence
- ORD record
- ord-c7b1dda75dd64136b42f5a75c2464a20
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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