Bicarbonate Ion → (+/-)-9-(3,5-bis-trifluoromethyl-benzylamino)-2,3,6,7,8,9-hexahydro-1H-5-aza-cyclohepta[f]indene-5-carboxylic acid isopropyl ester
Reaction equation
[BH4-:38].[C:40](=[O:41])([OH:42])[O-:43].[CH3:45][CH:46]([CH3:47])[O-:48].[CH3:50][CH:51]([CH3:52])[O-:53].[CH3:54][CH:55]([CH3:56])[O-:57].[CH3:58][CH:59]([CH3:60])[O-:61].[CH3:62][OH:63].[CH:17]([CH3:18])([CH3:19])[O:20][C:21](=[O:22])[N:23]1[CH2:24][CH2:25][CH2:26][C:27](=[O:37])[c:28]2[cH:29][c:30]3[c:34]([cH:35][c:36]21)[CH2:33][CH2:32][CH2:31]3.[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][NH2:7])[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1)([F:15])[F:16].[Na+:39].[Na+:44].[Ti+4:49]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][NH:7][CH:27]2[CH2:26][CH2:25][CH2:24][N:23]([C:21]([O:20][CH:17]([CH3:18])[CH3:19])=[O:22])[c:36]3[c:28]2[cH:29][c:30]2[c:34]([cH:35]3)[CH2:33][CH2:32][CH2:31]2)[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1)([F:15])[F:16]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-4ebaf5f08303496883c6d5220f8c1e11
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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