Bicarbonate Ion → 1-(Morpholin-4-ylcarbonyl)-5-[4-(trifluoromethyl)phenyl]piperidine-3-carbothioamide
Reaction equation
[C:50](=[O:51])([OH:52])[O-:53].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([P:7]2(=[S:8])[S:9][P:11](=[S:12])([c:13]3[cH:14][cH:15][c:16]([O:17][CH3:18])[cH:19][cH:20]3)[S:10]2)[cH:21][cH:22]1.[Na+:54].[O:23]1[CH2:24][CH2:25][N:26]([C:29](=[O:30])[N:31]2[CH2:32][CH:33]([C:47](=[O:48])[NH2:49])[CH2:34][CH:35]([c:37]3[cH:38][cH:39][c:40]([C:43]([F:44])([F:45])[F:46])[cH:41][cH:42]3)[CH2:36]2)[CH2:27][CH2:28]1.[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1>>[S:10]=[C:47]([CH:33]1[CH2:32][N:31]([C:29]([N:26]2[CH2:25][CH2:24][O:23][CH2:28][CH2:27]2)=[O:30])[CH2:36][CH:35]([c:37]2[cH:38][cH:39][c:40]([C:43]([F:44])([F:45])[F:46])[cH:41][cH:42]2)[CH2:34]1)[NH2:49]Participants
6
Sources & evidence
- ORD record
- ord-4eceaf6ea1954c5d949de5a1bfdba7cd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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