2-Butenedioic acid → 8-hydroxy-7-methoxy-3-methyl-6-phenylthio-2,3,4,5-tetrahydro-1H-3-benzazepine
Reaction equation
[C:1]([OH:2])(=[O:3])[CH:4]=[CH:5][C:6]([OH:7])=[O:8].[CH3:41][S:42](=[O:43])(=[O:44])[OH:45].[CH3:9][O:10][c:11]1[c:12]([S:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:13]2[c:14]([cH:21][c:22]1[O:23][CH3:24])[CH2:15][CH2:16][N:17]([CH3:20])[CH2:18][CH2:19]2.[NH2:32][CH:33]([C:34]([OH:35])=[O:36])[CH2:37][CH2:38][S:39][CH3:40]>>[CH3:9][O:10][c:11]1[c:12]([S:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:13]2[c:14]([cH:21][c:22]1[OH:23])[CH2:15][CH2:16][N:17]([CH3:20])[CH2:18][CH2:19]2Participants
5
Sources & evidence
- ORD record
- ord-255449999f214561938d1bb34c0e654a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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