Acetate → 2-[[3-[4-[[4-[(4-Methylsulfonylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]-4-(trifluoromethoxy)phenyl]carbamoyl]azetidine-1-carboxylic acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:12]([NH:13][c:14]2[cH:15][c:16](-[c:25]3[cH:26][cH:27][c:28]([C:31]([NH:32][c:33]4[cH:34][cH:35][c:36]([CH2:39][N:40]5[CH2:41][CH2:42][N:43]([S:46](=[O:47])(=[O:48])[CH3:49])[CH2:44][CH2:45]5)[cH:37][cH:38]4)=[O:50])[cH:29][cH:30]3)[c:17]([O:20][C:21]([F:22])([F:23])[F:24])[cH:18][cH:19]2)=[O:51])[CH2:10][CH2:11]1.[C:53](=[O:54])([O-:55])[O-:56].[CH3:59][C:60](=[O:61])[O-:62].[ClH:52].[K+:57].[K+:58].[O:63]1[CH2:64][CH2:65][O:66][CH2:67][CH2:68]1>>[O:5]=[C:6]([OH:7])[N:8]1[CH:9]([C:12]([NH:13][c:14]2[cH:15][c:16](-[c:25]3[cH:26][cH:27][c:28]([C:31]([NH:32][c:33]4[cH:34][cH:35][c:36]([CH2:39][N:40]5[CH2:41][CH2:42][N:43]([S:46](=[O:47])(=[O:48])[CH3:49])[CH2:44][CH2:45]5)[cH:37][cH:38]4)=[O:50])[cH:29][cH:30]3)[c:17]([O:20][C:21]([F:22])([F:23])[F:24])[cH:18][cH:19]2)=[O:51])[CH2:10][CH2:11]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-c027144f090d40218fcdccba0a38c2f0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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