Methanol → 3-[3-(5-Cyano-2-methoxyphenyl)prop-2-enoylamino]-4-[4-(4-fluorophenoxy)piperidin-1-yl]butanoic acid
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH2:10][CH:11]([CH2:12][N:13]1[CH2:14][CH2:15][CH:16]([O:19][c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[CH2:17][CH2:18]1)[NH:27][C:28]([CH:29]=[CH:30][c:31]1[c:32]([O:39][CH3:40])[cH:33][cH:34][c:35]([C:37]#[N:38])[cH:36]1)=[O:41])=[O:42].[CH3:45][OH:46].[Na+:44].[OH-:43]>>[O:8]=[C:9]([CH2:10][CH:11]([CH2:12][N:13]1[CH2:14][CH2:15][CH:16]([O:19][c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[CH2:17][CH2:18]1)[NH:27][C:28]([CH:29]=[CH:30][c:31]1[c:32]([O:39][CH3:40])[cH:33][cH:34][c:35]([C:37]#[N:38])[cH:36]1)=[O:41])[OH:42]Participants
5
Sources & evidence
- ORD record
- ord-003e855c06f54903ae19b33dc4c52e4a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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