Benzene → HCID 69558434, compound
Reaction equation
[C:3]([CH2:4][OH:5])(=[O:6])[O:7][CH3:8].[Cl:9][c:10]1[c:11]2[c:12]([n:13][cH:14][n:15]1)[n:16]([CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[c:17]([CH2:19][CH3:20])[cH:18]2.[H-:1].[Na+:2].[cH:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[C:3]([CH2:4][O:5][c:10]1[c:11]2[c:12]([n:13][cH:14][n:15]1)[n:16]([CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[c:17]([CH2:19][CH3:20])[cH:18]2)(=[O:6])[O:7][CH3:8]Participants
6
Sources & evidence
- ORD record
- ord-0d522b46a3cb4e5ca727a2b9c933df78
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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