Acetic Acid → 3-tert-Butoxycarbonyl-7-chloro-6-[5-(cyclopropylmethyl-amino)-[1,3,4]thiadiazol-2-ylthiomethyl]-2,3,4,5-tetrahydro-1H-benzo[d]azepine
Reaction equation
[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[CH3:47][C:48](=[O:49])[OH:50].[CH:28]1([CH:31]=[O:32])[CH2:29][CH2:30]1.[NH2:1][c:2]1[n:3][n:4][c:5]([S:7][CH2:8][c:9]2[c:10]([Cl:27])[cH:11][cH:12][c:13]3[c:19]2[CH2:18][CH2:17][N:16]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:15][CH2:14]3)[s:6]1.[Na+:46].[Na+:55].[O-:51][C:52]([OH:53])=[O:54]>>[NH:1]([c:2]1[n:3][n:4][c:5]([S:7][CH2:8][c:9]2[c:10]([Cl:27])[cH:11][cH:12][c:13]3[c:19]2[CH2:18][CH2:17][N:16]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:15][CH2:14]3)[s:6]1)[CH2:31][CH:28]1[CH2:29][CH2:30]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-d4c2ee804f7043b195804511b1604a31
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…