Benzene → HCID 69558414, compound
Reaction equation
[C:3]([CH2:4][OH:5])(=[O:6])[O:7][CH3:8].[CH3:9][S:10][c:11]1[n:12][c:13]([Cl:30])[c:14]2[c:15]([n:16]1)[n:17]([CH2:22][c:23]1[cH:24][c:25]([Cl:29])[cH:26][cH:27][cH:28]1)[c:18]([CH2:20][CH3:21])[cH:19]2.[H-:1].[Na+:2].[cH:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[C:3]([CH2:4][O:5][c:13]1[n:12][c:11]([S:10][CH3:9])[n:16][c:15]2[c:14]1[cH:19][c:18]([CH2:20][CH3:21])[n:17]2[CH2:22][c:23]1[cH:24][c:25]([Cl:29])[cH:26][cH:27][cH:28]1)(=[O:6])[O:7][CH3:8]Participants
6
Sources & evidence
- ORD record
- ord-4ae1bebb2c4e428eb0faf880928b44a2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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