Ethanol → 7-Ethoxycarbonylmethyl-2-(4-(4-phenylbenzoylamino)butyl)-1,2,3,4-tetrahydroisoquinoline
Reaction equation
[CH3:1][O:2][C:3](=[O:4])[CH2:5][c:6]1[cH:7][cH:8][c:9]2[c:14]([cH:15]1)[CH2:13][N:12]([CH2:16][CH2:17][CH2:18][CH2:19][NH:20][C:21]([c:22]1[cH:23][cH:24][c:25](-[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[cH:26][cH:27]1)=[O:34])[CH2:11][CH2:10]2.[CH3:40][CH2:41][OH:42].[S:35](=[O:36])(=[O:37])([OH:38])[OH:39]>>[CH2:1]([O:2][C:3](=[O:4])[CH2:5][c:6]1[cH:7][cH:8][c:9]2[c:14]([cH:15]1)[CH2:13][N:12]([CH2:16][CH2:17][CH2:18][CH2:19][NH:20][C:21]([c:22]1[cH:23][cH:24][c:25](-[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[cH:26][cH:27]1)=[O:34])[CH2:11][CH2:10]2)[CH3:40]Participants
4
Sources & evidence
- ORD record
- ord-403538da5b454f3cb8848aa0f5c85cc2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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