Ethanol → 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-hydroxy-7-methyl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-f][1,2]thiazepine 1,1-dioxide
Reaction equation
[BH4-:31].[CH3:34][CH2:35][OH:36].[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][N:17]3[S:18](=[O:29])(=[O:30])[c:19]4[c:20]([cH:25][n:26]([CH3:28])[cH:27]4)[C:21](=[O:24])[CH2:22][CH2:23]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1.[Na+:32].[OH2:33]>>[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][N:17]3[S:18](=[O:29])(=[O:30])[c:19]4[c:20]([cH:25][n:26]([CH3:28])[cH:27]4)[CH:21]([OH:24])[CH2:22][CH2:23]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-50ef2ce214e040568200b60ff9bc616a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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