Ethanol → [4-(1-Oxo-1-pentoxypropan-2-yl)oxyphenyl] 4-(4-octoxyphenyl)benzoate
Reaction equation
[CH2:23]([CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])[O:31][c:32]1[cH:33][cH:34][c:35](-[c:38]2[cH:39][cH:40][c:41]([C:42](=[O:43])[Cl:44])[cH:45][cH:46]2)[cH:36][cH:37]1.[CH3:53][CH2:54][OH:55].[CH:19]([Cl:20])([Cl:21])[Cl:22].[Cl:56][CH2:57][Cl:58].[OH:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH:7]([C:8](=[O:9])[O:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])[CH3:16])[cH:17][cH:18]1.[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([O:6][CH:7]([C:8](=[O:9])[O:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])[CH3:16])[cH:17][cH:18]1)[C:42]([c:41]1[cH:40][cH:39][c:38](-[c:35]2[cH:34][cH:33][c:32]([O:31][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])[cH:37][cH:36]2)[cH:46][cH:45]1)=[O:43]Participants
7
Sources & evidence
- ORD record
- ord-56fc956f7f9f470c9f96cfcbe0de151c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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