Methylparaben → HCID 178498231, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:17][OH:18])[CH2:10][CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH:16]12.[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[O:49]=[C:50]([O:51][CH:52]([CH3:53])[CH3:54])[N:55]=[N:56][C:57]([O:58][CH:59]([CH3:60])[CH3:61])=[O:62].[OH:19][c:20]1[cH:21][cH:22][c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29]1.[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:17][O:18][c:20]2[cH:21][cH:22][c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29]2)[CH2:10][CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH:16]12Participants
6
Sources & evidence
- ORD record
- ord-1fea8e540df34c4b84f794d824685d96
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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