Methylparaben → HCID 18177875, compound
Reaction equation
[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:1][C:2]([CH2:3][OH:4])([CH3:5])[c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[C:12]([CH3:16])([CH3:17])[CH2:11][CH2:10][C:9]2([CH3:18])[CH3:19].[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:39][c:40]1[cH:41][cH:42][c:43]([C:44](=[O:45])[O:46][CH3:47])[cH:48][cH:49]1.[c:20]1([P:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[CH3:1][C:2]([CH2:3][O:4][c:40]1[cH:41][cH:42][c:43]([C:44](=[O:45])[O:46][CH3:47])[cH:48][cH:49]1)([CH3:5])[c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[C:12]([CH3:16])([CH3:17])[CH2:11][CH2:10][C:9]2([CH3:18])[CH3:19]Participants
6
Sources & evidence
- ORD record
- ord-421ba6a2a2b9435a9c43a2ceee02dd01
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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