Acetic Acid → 4-[[4-[[4-(Diethylcarbamoyl)phenyl]-(3-hydroxyphenyl)methyl]-2,5-dimethylpiperazin-1-yl]methyl]benzoic acid
Reaction equation
[C:34](=[O:35])([OH:36])[c:37]1[cH:38][cH:39][c:40]([CH:41]=[O:42])[cH:43][cH:44]1.[C:45]([O:46][BH-:47]([O:48][C:49](=[O:50])[CH3:51])[O:52][C:53](=[O:54])[CH3:55])(=[O:56])[CH3:57].[CH3:1][C:2](=[O:3])[OH:4].[CH3:5][CH:6]1[N:7]([CH:13]([c:14]2[cH:15][cH:16][c:17]([C:18](=[O:19])[N:20]([CH2:21][CH3:22])[CH2:23][CH3:24])[cH:25][cH:26]2)[c:27]2[cH:28][c:29]([OH:33])[cH:30][cH:31][cH:32]2)[CH2:8][CH:9]([CH3:12])[NH:10][CH2:11]1.[Na+:58].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1>>[CH3:5][CH:6]1[N:7]([CH:13]([c:14]2[cH:15][cH:16][c:17]([C:18](=[O:19])[N:20]([CH2:21][CH3:22])[CH2:23][CH3:24])[cH:25][cH:26]2)[c:27]2[cH:28][c:29]([OH:33])[cH:30][cH:31][cH:32]2)[CH2:8][CH:9]([CH3:12])[N:10]([CH2:41][c:40]2[cH:39][cH:38][c:37]([C:34](=[O:35])[OH:36])[cH:44][cH:43]2)[CH2:11]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-796b7b6f58ab4acbb6877a9459bb9900
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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