Ammonia → 9-Cyano 10,11-dihydro-11-oxo-dibenzo[b,f]thiepin
Reaction equation
[CH3:23][N:24]1[CH2:25][CH2:26][CH2:27][C:28]1=[O:29].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[CH2:8][C:9](=[O:17])[c:10]1[c:11]([cH:13][cH:14][cH:15][cH:16]1)[S:12]2.[Cu+2:36].[Cu:18]([C:19]#[N:20])[C:21]#[N:22].[NH3:30].[OH2:37].[S:31]([O-:32])([O-:33])(=[O:34])=[O:35]>>[c:2]1([C:19]#[N:20])[cH:3][cH:4][cH:5][c:6]2[c:7]1[CH2:8][C:9](=[O:17])[c:10]1[c:11]([cH:13][cH:14][cH:15][cH:16]1)[S:12]2Participants
8
Sources & evidence
- ORD record
- ord-d9a88b347f76488889a2893639530956
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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