Sodium ion → [1-(4-Chloro-phenyl)-cyclobutyl]-[3-(4-trifluoromethylphenoxymethyl)-azepan-1-yl]-methanone
Reaction equation
[CH3:72][CH2:73][O:74][C:75](=[O:76])[CH3:77].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:12](=[O:13])[N:14]3[CH2:15][CH:16]([CH2:21][OH:22])[CH2:17][CH2:18][CH2:19][CH2:20]3)[CH2:9][CH2:10][CH2:11]2)[cH:6][cH:7]1.[F:42][C:43]([c:44]1[cH:45][cH:46][c:47]([OH:50])[cH:48][cH:49]1)([F:51])[F:52].[Na+:66].[O:53]=[C:54]([O:55][CH2:56][CH3:57])[N:58]=[N:59][C:60]([O:61][CH2:62][CH3:63])=[O:64].[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1.[OH-:65].[c:23]1([P:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:12](=[O:13])[N:14]3[CH2:15][CH:16]([CH2:21][O:22][c:47]4[cH:46][cH:45][c:44]([C:43]([F:42])([F:51])[F:52])[cH:49][cH:48]4)[CH2:17][CH2:18][CH2:19][CH2:20]3)[CH2:9][CH2:10][CH2:11]2)[cH:6][cH:7]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-60253021a6294df88fd856fb21c8a03f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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