1H-1lambda~6~-Benzothiepine-1,1-dione → HCID 22325233, compound
Reaction equation
[CH2:14]([CH2:15][CH2:16][CH3:17])[C:18]1([CH2:38][CH3:39])[CH2:19][S:20](=[O:36])(=[O:37])[c:21]2[c:22]([cH:23][cH:24][cH:25][cH:26]2)[C:27]2([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[CH:28]1[O:29]2.[S:1]1(=[O:2])(=[O:12])[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[CH:9]=[CH:10][CH:11]=[CH:13]1>>[OH:12][CH:28]1[C:18]([CH2:14][CH2:15][CH2:16][CH3:17])([CH2:38][CH3:39])[CH2:19][S:20](=[O:36])(=[O:37])[c:21]2[c:22]([cH:23][cH:24][cH:25][cH:26]2)[C:27]1([OH:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1Participants
3
Sources & evidence
- ORD record
- ord-684124aaa24444a29e7d77ea02e74dde
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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