Bicarbonate Ion → (4-Amino-3-(trifluoromethoxy)phenyl)(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazin-1-yl)methanone
Reaction equation
[C:56](=[O:57])([O-:58])[OH:59].[CH2:46]([P:47]([OH:48])(=[O:49])[OH:50])[CH2:51][CH3:52].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl:53][CH2:54][Cl:55].[F:16][C:17]([C:18]([C:19]([F:20])([F:21])[F:22])([OH:23])[c:24]1[cH:25][cH:26][c:27]([CH2:30][N:31]2[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]2)[cH:28][cH:29]1)([F:37])[F:38].[NH2:1][c:2]1[c:3]([O:11][C:12]([F:13])([F:14])[F:15])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[Na+:60]>>[NH2:1][c:2]1[c:3]([O:11][C:12]([F:13])([F:14])[F:15])[cH:4][c:5]([C:6](=[O:8])[N:34]2[CH2:33][CH2:32][N:31]([CH2:30][c:27]3[cH:26][cH:25][c:24]([C:18]([C:17]([F:16])([F:37])[F:38])([C:19]([F:20])([F:21])[F:22])[OH:23])[cH:29][cH:28]3)[CH2:36][CH2:35]2)[cH:9][cH:10]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-04188050a7cf4803a7c25f6c9ecf6120
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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