Benzene → 10-Chloro-8-fluoro-10,11-dihydro-2-methyldibenzo[b,f]thiepin
Reaction equation
[Ca+2:21].[Cl-:19].[Cl-:20].[ClH:22].[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[CH:7]([OH:17])[CH2:8][c:9]1[c:10]([cH:12][cH:13][c:14]([CH3:16])[cH:15]1)[S:11]2.[cH:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[CH:7]([Cl:19])[CH2:8][c:9]1[c:10]([cH:12][cH:13][c:14]([CH3:16])[cH:15]1)[S:11]2Participants
6
Sources & evidence
- ORD record
- ord-c420680691ed4bc4919f3d2187d1bc21
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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