Bicarbonate Ion → 1-(4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl)-3-(5-(trifluoromethyl)pyridin-2-ylthio)pyrazin-2(1H)-one
Reaction equation
[F:55][C:56]([c:57]1[cH:58][cH:59][c:60]([SH:63])[n:61][cH:62]1)([F:64])[F:65].[Na+:75].[O-:71][C:72]([OH:73])=[O:74].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH:1][c:2]1[c:3](=[O:21])[n:4](-[c:8]2[cH:9][c:10]([CH3:20])[c:11]([O:14][CH2:15][C:16]([CH3:17])([CH3:18])[OH:19])[cH:12][cH:13]2)[cH:5][cH:6][n:7]1.[P-:22]([F:23])([F:24])([F:25])([F:26])([F:27])[F:28].[n:29]1([O:30][P+:31]([N:32]2[CH2:33][CH2:34][CH2:35][CH2:36]2)([N:37]2[CH2:38][CH2:39][CH2:40][CH2:41]2)[N:42]2[CH2:43][CH2:44][CH2:45][CH2:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[c:2]1([S:63][c:60]2[cH:59][cH:58][c:57]([C:56]([F:55])([F:64])[F:65])[cH:62][n:61]2)[c:3](=[O:21])[n:4](-[c:8]2[cH:9][c:10]([CH3:20])[c:11]([O:14][CH2:15][C:16]([CH3:17])([CH3:18])[OH:19])[cH:12][cH:13]2)[cH:5][cH:6][n:7]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-3015947ce14b4a3e83c306285d76df40
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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