Sodium ion → 3-tert-butoxycarbonyl-7-chloro-6-[4-(1,1-dimethyl-propyl)-phenylthiomethyl]-2,3,4,5-tetrahydro-1H-benzo[d]azepine
Reaction equation
[C:15]([CH3:16])([CH3:17])([CH3:18])[O:19][C:20](=[O:21])[N:22]1[CH2:23][CH2:24][c:25]2[c:26]([c:29]([CH2:34][Cl:35])[c:30]([Cl:33])[cH:31][cH:32]2)[CH2:27][CH2:28]1.[CH3:1][C:2]([CH2:3][CH3:4])([CH3:5])[c:6]1[cH:7][cH:8][c:9]([SH:12])[cH:10][cH:11]1.[H-:13].[I-:37].[Na+:14].[Na+:36].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[CH3:1][C:2]([CH2:3][CH3:4])([CH3:5])[c:6]1[cH:7][cH:8][c:9]([S:12][CH2:34][c:29]2[c:26]3[c:25]([cH:32][cH:31][c:30]2[Cl:33])[CH2:24][CH2:23][N:22]([C:20]([O:19][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:21])[CH2:28][CH2:27]3)[cH:10][cH:11]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-31a7f7bb0c9b4523ac17dde678a70470
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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