Acetic Acid → N-[1-(2,6-Diethoxy-4'-fluoro-biphenyl-4-ylmethyl)-piperidin-4-yl]-5-methoxy-isophthalamic acid methyl ester
Reaction equation
[C:57]([BH3-:58])#[N:59].[CH2:36]([CH3:37])[O:38][c:39]1[c:40](-[c:50]2[cH:51][cH:52][c:53]([F:56])[cH:54][cH:55]2)[c:41]([O:47][CH2:48][CH3:49])[cH:42][c:43]([CH:45]=[O:46])[cH:44]1.[CH2:61]([N:62]([CH:63]([CH3:64])[CH3:65])[CH:66]([CH3:67])[CH3:68])[CH3:69].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([C:7](=[O:8])[NH:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][c:17]3[cH:18][c:19]([O:20][CH2:21][CH3:22])[c:23]([F:24])[c:25]([O:26][CH2:27][CH3:28])[cH:29]3)[CH2:14][CH2:15]2)[cH:30][c:31]([O:33][CH3:34])[cH:32]1)=[O:35].[CH3:70][CH2:71][OH:72].[CH3:73][C:74](=[O:75])[OH:76].[Na+:60]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([C:7](=[O:8])[NH:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:45][c:43]3[cH:42][c:41]([O:47][CH2:48][CH3:49])[c:40](-[c:50]4[cH:51][cH:52][c:53]([F:56])[cH:54][cH:55]4)[c:39]([O:38][CH2:36][CH3:37])[cH:44]3)[CH2:14][CH2:15]2)[cH:30][c:31]([O:33][CH3:34])[cH:32]1)=[O:35]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-abe4de7cf85d4a72a71e17123696883f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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