Methylparaben → 4-[5-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-4-ylethoxy]-benzoic acid methyl ester
Reaction equation
[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:20][O:21][C:22]([c:23]1[cH:24][cH:25][c:26]([OH:29])[cH:27][cH:28]1)=[O:30].[O:50]=[C:51]([O:52][CH2:53][CH3:54])[N:55]=[N:56][C:57]([O:58][CH2:59][CH3:60])=[O:61].[OH:1][CH2:2][CH2:3][c:4]1[n:5][c:6](-[c:10]2[cH:11][cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[s:7][c:8]1[CH3:9].[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[O:1]([CH2:2][CH2:3][c:4]1[n:5][c:6](-[c:10]2[cH:11][cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[s:7][c:8]1[CH3:9])[c:26]1[cH:25][cH:24][c:23]([C:22]([O:21][CH3:20])=[O:30])[cH:28][cH:27]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-7daf74aeb65a494f89f4c14d9443232c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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