Methylparaben → 4-[2-(4,4-Dimethyl-chroman-7-yl)-heptyloxy]-benzoic acid methyl ester
Reaction equation
[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH3:1][C:2]1([CH3:20])[CH2:3][CH2:4][O:5][c:6]2[cH:7][c:8]([CH:12]([CH2:13][OH:14])[CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[cH:9][cH:10][c:11]21.[O:51]=[C:52]([O:53][CH2:54][CH3:55])[N:56]=[N:57][C:58]([O:59][CH2:60][CH3:61])=[O:62].[OH:21][c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]1.[c:32]1([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[CH3:1][C:2]1([CH3:20])[CH2:3][CH2:4][O:5][c:6]2[cH:7][c:8]([CH:12]([CH2:13][O:14][c:22]3[cH:23][cH:24][c:25]([C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]3)[CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[cH:9][cH:10][c:11]21Participants
6
Sources & evidence
- ORD record
- ord-fb9b989445c34b9893d5834fd898d7b4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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