Ethyl Acetate → 6-[2-[3-[2-[[Benzylcarbamoyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[CH:11]1[O:12][CH:13]([O:20][C:21]([CH2:22][c:23]2[cH:24][c:25](-[c:31]3[c:32]([CH2:41][N:42]([C:43](=[O:44])[NH:45][CH2:46][c:47]4[cH:48][cH:49][cH:50][cH:51][cH:52]4)[CH2:53][CH3:54])[cH:33][c:34]([C:37]([F:38])([F:39])[F:40])[cH:35][cH:36]3)[c:26]([O:29][CH3:30])[cH:27][cH:28]2)=[O:55])[CH:14]([OH:19])[CH:15]([OH:18])[CH:16]1[OH:17].[CH3:56][CH2:57][O:58][C:59]([CH3:60])=[O:61]>>[O:8]=[C:9]([OH:10])[CH:11]1[O:12][CH:13]([O:20][C:21]([CH2:22][c:23]2[cH:24][c:25](-[c:31]3[c:32]([CH2:41][N:42]([C:43](=[O:44])[NH:45][CH2:46][c:47]4[cH:48][cH:49][cH:50][cH:51][cH:52]4)[CH2:53][CH3:54])[cH:33][c:34]([C:37]([F:38])([F:39])[F:40])[cH:35][cH:36]3)[c:26]([O:29][CH3:30])[cH:27][cH:28]2)=[O:55])[CH:14]([OH:19])[CH:15]([OH:18])[CH:16]1[OH:17]Participants
3
Sources & evidence
- ORD record
- ord-ca3688a93c9140a8815d00ac6b191bda
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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