Benzene → HCID 178423699, compound
Reaction equation
[CH3:16][C:17]1([CH3:29])[CH:18]([C:26](=[O:27])[OH:28])[CH:19]1[CH:20]=[C:21]1[CH2:22][CH2:23][CH2:24][CH2:25]1.[Cl-:15].[ClH:30].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[s:9][c:10]([CH2:13][OH:14])[cH:11][n:12]1.[cH:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[s:9][c:10]([CH2:13][O:14][C:26]([CH:18]2[C:17]([CH3:16])([CH3:29])[CH:19]2[CH:20]=[C:21]2[CH2:22][CH2:23][CH2:24][CH2:25]2)=[O:27])[cH:11][n:12]1Participants
7
Sources & evidence
- ORD record
- ord-cca0a12fc5684d639d5d902e3896fac1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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