Ammonia → 2-Methoxy-9-cyano-10,11-dihydrodibenzo[b,f]thiepin
Reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][CH2:5][C:6]1=[O:7].[CH3:8][O:9][c:10]1[cH:11][c:12]2[c:13]([cH:24][cH:25]1)[S:14][c:15]1[c:16]([c:19]([Cl:23])[cH:20][cH:21][cH:22]1)[CH2:17][CH2:18]2.[Cu+2:38].[Cu:26]([C:27]#[N:28])[C:29]#[N:30].[NH3:32].[OH2:31].[OH2:45].[S:33]([O-:34])([O-:35])(=[O:36])=[O:37].[cH:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[C:1](#[N:2])[c:19]1[c:16]2[c:15]([cH:22][cH:21][cH:20]1)[S:14][c:13]1[c:12]([cH:11][c:10]([O:9][CH3:8])[cH:25][cH:24]1)[CH2:18][CH2:17]2Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-51cee0684111470a9ca8f837e31b75a4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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