Acetone → 2-Hydroxy-4-[6-[2,3-bis(phenylmethoxy)phenyl]hexyloxy]-3-propylbenzoic acid phenylmethyl ester
Reaction equation
[C:51](=[O:52])([O-:53])[O-:54].[CH3:57][C:58](=[O:59])[CH3:60].[I:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][c:8]1[c:9]([O:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:10]([O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:11][cH:12][cH:13]1.[K+:55].[K+:56].[c:30]1([CH2:36][O:37][C:38]([c:39]2[c:40]([OH:49])[c:41]([CH2:46][CH2:47][CH3:48])[c:42]([OH:45])[cH:43][cH:44]2)=[O:50])[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][c:8]1[c:9]([O:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:10]([O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:11][cH:12][cH:13]1)[O:45][c:42]1[c:41]([CH2:46][CH2:47][CH3:48])[c:40]([OH:49])[c:39]([C:38]([O:37][CH2:36][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)=[O:50])[cH:44][cH:43]1Participants
6
Sources & evidence
- ORD record
- ord-1e6e54a50a0b4e51b1ee552d86365661
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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