Water → 4-Ethynyl-N-{2-[4-(5-fluoro-2-trifluoromethyl-benzoyl)-piperazin-1-yl]-2-oxo-ethyl}-benzamide
Reaction equation
[C:10](#[CH:11])[c:12]1[cH:13][cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20]1.[CH3:31][CH2:32][N:33]=[C:34]=[N:35][CH2:36][CH2:37][CH2:38][N:39]([CH3:40])[CH3:41].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[NH2:42][CH2:43][C:44](=[O:45])[N:46]1[CH2:47][CH2:48][N:49]([C:52]([c:53]2[c:54]([C:60]([F:61])([F:62])[F:63])[cH:55][cH:56][c:57]([F:59])[cH:58]2)=[O:64])[CH2:50][CH2:51]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:70].[OH:21][n:22]1[c:23]2[c:24]([cH:25][cH:26][cH:27][cH:28]2)[n:29][n:30]1>>[C:10](#[CH:11])[c:12]1[cH:13][cH:14][c:15]([C:16](=[O:18])[NH:42][CH2:43][C:44](=[O:45])[N:46]2[CH2:47][CH2:48][N:49]([C:52]([c:53]3[c:54]([C:60]([F:61])([F:62])[F:63])[cH:55][cH:56][c:57]([F:59])[cH:58]3)=[O:64])[CH2:50][CH2:51]2)[cH:19][cH:20]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-cec2c1ec79414a0ab4e58d2ee54c1253
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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