Benzene → HCID 12230452, compound
Reaction equation
[Cl:13][CH2:14][CH2:15][CH2:16][C:17]([CH3:18])=[O:19].[OH:1][CH2:2][CH2:3][c:4]1[cH:5][nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12.[c:20]1([CH3:21])[cH:22][cH:23][c:24]([S:25]([OH:26])(=[O:27])=[O:28])[cH:29][cH:30]1.[cH:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[O:1]1[CH2:2][CH2:3][c:4]2[c:5]([nH:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]23)[C:17]1([CH2:16][CH2:15][CH2:14][Cl:13])[CH3:18]Participants
5
Sources & evidence
- ORD record
- ord-ed0c61b54db34cc5b80b16268b71cdbe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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