Chloride → p-n-Octylbenzoic acid 4'-(2-methylbutoxycarbonyl)-4-biphenylyl ester
Reaction equation
[CH2:19]([c:20]1[cH:21][cH:22][c:23]([C:24]([OH:25])=[O:26])[cH:27][cH:28]1)[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35].[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH3:9])[c:10]1[cH:11][cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18]1.[CH3:40][CH:41]([CH2:42][O:43][C:44](=[O:45])[c:46]1[cH:47][cH:48][c:49](-[c:52]2[cH:53][cH:54][c:55]([OH:58])[cH:56][cH:57]2)[cH:50][cH:51]1)[CH2:59][CH3:60].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[Cl-:1].[S:36]([Cl:37])([Cl:38])=[O:39].[cH:68]1[cH:69][cH:70][n:71][cH:72][cH:73]1>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH3:9])[c:10]1[cH:11][cH:12][c:13]([C:14]([O:15][c:55]2[cH:54][cH:53][c:52](-[c:49]3[cH:48][cH:47][c:46]([C:44]([O:43][CH2:42][CH:41]([CH3:40])[CH2:59][CH3:60])=[O:45])[cH:51][cH:50]3)[cH:57][cH:56]2)=[O:16])[cH:17][cH:18]1Participants
7
Sources & evidence
- ORD record
- ord-58ac5688e8b3440ca8f32463e00554a8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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