Benzene → HCID 178446897, compound
Reaction equation
[CH3:1][C:2]1([CH3:28])[CH:3]2[CH2:4][CH2:5][C:6]3=[C:20]([CH2:19][CH2:18][C:17]4([CH3:27])[C:7]3=[CH:8][CH2:9][CH:10]4[CH:11]([CH2:12][CH2:13][CH2:14][OH:15])[CH3:16])[C:21]2([CH3:26])[CH2:22][CH2:23][CH:24]1[OH:25].[Cl-:29].[cH:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH3:1][C:2]1([CH3:28])[CH:3]2[CH2:4][CH2:5][C:6]3=[C:20]([CH2:19][CH2:18][C:17]4([CH3:27])[C:7]3=[CH:8][CH2:9][CH:10]4[CH:11]([CH2:12][CH2:13][CH:14]=[O:15])[CH3:16])[C:21]2([CH3:26])[CH2:22][CH2:23][CH:24]1[OH:25]Participants
4
Sources & evidence
- ORD record
- ord-2e4e5d2e74e048ae8bff7df303bc5132
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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