Ammonium → 3-tert-butoxycarbonyl-7-chloro-6-(2-isopropoxy-ethylthio)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([S:20][C:21](=[O:22])[N:23]([CH3:24])[CH3:25])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1.[C:26]([O:27][C:28]([N:29]1[CH2:30][CH2:31][c:32]2[c:33]([S:34][C:35](=[O:36])[N:37]([CH3:38])[CH3:39])[c:40]([Cl:41])[cH:42][c:43]([Cl:44])[c:45]2[CH2:46][CH2:47]1)=[O:48])([CH3:49])([CH3:50])[CH3:51].[CH3:61][OH:62].[Cl-:63].[I:54][CH2:55][CH2:56][O:57][CH:58]([CH3:59])[CH3:60].[K+:53].[NH4+:64].[OH-:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([S:20][CH2:55][CH2:56][O:57][CH:58]([CH3:59])[CH3:60])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-bf97ecbfff6c4c30849177c046491728
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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