Methanol → 3-{[4-(4-Acetyl-2-chloro-3-hydroxy-phenoxymethyl)-phenyl]-hydroxy-methyl}-benzoic acid
Reaction equation
[C:12]([CH3:13])(=[O:14])[c:15]1[c:16]([OH:47])[c:17]([Cl:46])[c:18]([O:19][CH2:20][c:21]2[cH:22][cH:23][c:24]([CH:27]([c:28]3[cH:29][c:30]([C:31](=[O:32])[OH:33])[cH:34][cH:35][cH:36]3)[O:37][CH:38]3[CH2:39][CH2:40][CH2:41][CH2:42][O:43]3)[cH:25][cH:26]2)[cH:44][cH:45]1.[CH3:48][OH:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[C:12]([CH3:13])(=[O:14])[c:15]1[c:16]([OH:47])[c:17]([Cl:46])[c:18]([O:19][CH2:20][c:21]2[cH:22][cH:23][c:24]([CH:27]([c:28]3[cH:29][c:30]([C:31](=[O:32])[OH:33])[cH:34][cH:35][cH:36]3)[OH:37])[cH:25][cH:26]2)[cH:44][cH:45]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-5d6dbfba14b74c5994887e8171d39960
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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