Methylparaben → HCID 59758971, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][OH:18])[n:15]1)=[O:19].[CH3:20][O:21][C:22]([c:23]1[cH:24][cH:25][c:26]([OH:29])[cH:27][cH:28]1)=[O:30].[N+:50]([C:51]([O:52][CH2:53][CH3:54])=[O:55])([C:56]([O:57][CH2:58][CH3:59])=[O:60])=[N-:61].[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1.[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>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][O:18][c:26]2[cH:25][cH:24][c:23]([C:22]([O:21][CH3:20])=[O:30])[cH:28][cH:27]2)[n:15]1)=[O:19]Participants
6
Sources & evidence
- ORD record
- ord-3fd36eb6bff942c1bab86d70c6b9368b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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