Sodium ion → 3-Hydroxymethyl-1-(4-methoxy-benzenesulfonyl)-2,3,4,7-tetrahydro-1H-azepine-2-carboxylic acid tert butyl ester
Reaction equation
[BH4-:44].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[N:9]([S:18](=[O:19])(=[O:20])[c:21]2[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]2)[CH2:10][CH:11]=[CH:12][CH2:13][CH:14]1[C:15](=[O:16])[OH:17].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cl:36][C:37]([O:38][CH2:39][CH:40]([CH3:41])[CH3:42])=[O:43].[Na+:45].[OH2:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[N:9]([S:18](=[O:19])(=[O:20])[c:21]2[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]2)[CH2:10][CH:11]=[CH:12][CH2:13][CH:14]1[CH2:15][OH:16]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-d90d08a062c2409aaa20e431e2c1086e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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