Hydrochloric Acid → 3-tert-Butoxycarbonyl-7-chloro-6-mercaptomethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
Reaction equation
[C:2]([CH3:3])([CH3:4])([CH3:5])[O:6][C:7](=[O:8])[N:9]1[CH2:10][CH2:11][c:12]2[c:13]([c:16]([CH2:21][S:22][C:23](=[NH:24])[NH2:25])[c:17]([Cl:20])[cH:18][cH:19]2)[CH2:14][CH2:15]1.[ClH:1].[K+:33].[Na+:27].[O:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[OH-:26].[OH2:40].[S:28](=[O:29])(=[O:30])([OH:31])[O-:32]>>[C:2]([CH3:3])([CH3:4])([CH3:5])[O:6][C:7](=[O:8])[N:9]1[CH2:10][CH2:11][c:12]2[c:13]([c:16]([CH2:21][SH:22])[c:17]([Cl:20])[cH:18][cH:19]2)[CH2:14][CH2:15]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-c6cfcd5c4ec44e17a5c453b5ce1b51cf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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