Acetic Acid → Methyl 5-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]-2-hydroxybenzoate
Reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[CH3:53][O:54][C:55]([c:56]1[c:57]([OH:64])[cH:58][cH:59][c:60]([CH:62]=[O:63])[cH:61]1)=[O:65].[CH3:66][C:67](=[O:68])[OH:69].[CH3:70][C:71]#[N:72].[Cl:73][CH2:74][Cl:75].[F:15][C:16]([c:17]1[cH:18][c:19]([CH2:20][N:21]([CH:22]2[c:23]3[c:24]([cH:29][c:30]([C:34]([F:35])([F:36])[F:37])[c:31]([CH3:33])[cH:32]3)[NH:25][CH2:26][CH2:27][CH2:28]2)[c:38]2[n:39][n:40][n:41]([CH3:43])[n:42]2)[cH:44][c:45]([C:47]([F:48])([F:49])[F:50])[cH:46]1)([F:51])[F:52].[Na+:14]>>[F:15][C:16]([c:17]1[cH:18][c:19]([CH2:20][N:21]([CH:22]2[c:23]3[c:24]([cH:29][c:30]([C:34]([F:35])([F:36])[F:37])[c:31]([CH3:33])[cH:32]3)[N:25]([CH2:62][c:60]3[cH:59][cH:58][c:57]([OH:64])[c:56]([C:55]([O:54][CH3:53])=[O:65])[cH:61]3)[CH2:26][CH2:27][CH2:28]2)[c:38]2[n:39][n:40][n:41]([CH3:43])[n:42]2)[cH:44][c:45]([C:47]([F:48])([F:49])[F:50])[cH:46]1)([F:51])[F:52]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-c3c203145f2e4898b1b66fc3e37364a2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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