Iodoethane → (+/-)-3-tert-butoxycarbonyl-7-chloro-6-(1-cyanopropylthio)-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]([S:34][CH2:35][C:36]#[N:37])[c:30]([Cl:33])[cH:31][cH:32]2)[CH2:27][CH2:28]1.[CH2:38]([I:39])[CH3:40].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH2:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1.[CH:1]([CH3:2])([N-:3][CH:4]([CH3:5])[CH3:6])[CH3:7].[Li+:8]>>[CH2:1]([CH3:2])[CH:35]([S:34][c:29]1[c:26]2[c:25]([cH:32][cH:31][c:30]1[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]2)[C:36]#[N:37]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-85bad2d6971442568dcc4b650e176ebd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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