Benzene → HCID 70155581, compound
Reaction equation
[CH2:25]1[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1.[Cl:16][c:17]1[cH:18][c:19]([CH:20]=[O:21])[cH:22][cH:23][cH:24]1.[O:1]=[C:2]([CH2:3][C:4](=[O:5])[O:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[CH2:14][CH3:15].[OH2:48].[c:31]1([CH3:32])[cH:33][cH:34][c:35]([S:36]([OH:37])(=[O:38])=[O:39])[cH:40][cH:41]1.[cH:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[O:1]=[C:2]([C:3]([C:4](=[O:5])[O:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)=[CH:20][c:19]1[cH:18][c:17]([Cl:16])[cH:24][cH:23][cH:22]1)[CH2:14][CH3:15]Participants
7
Sources & evidence
- ORD record
- ord-2edb38c2cd4148e4966a132814ec4c57
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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