Methylparaben → HCID 178498253, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][CH:7]([CH2:17][OH:18])[N:8]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:9]1.[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH3:19][O:20][C:21]([c:22]1[cH:23][cH:24][c:25]([OH:28])[cH:26][cH:27]1)=[O:29].[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].[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])(=[O:3])[O:4][CH:5]1[CH2:6][CH:7]([CH2:17][O:18][c:25]2[cH:24][cH:23][c:22]([C:21]([O:20][CH3:19])=[O:29])[cH:27][cH:26]2)[N:8]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:9]1Participants
6
Sources & evidence
- ORD record
- ord-272ae3dee824403792aa7989ee7acdac
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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