Benzene → HCID 178459380, compound
Reaction equation
[CH3:1][C:2]1([CH3:32])[c:3]2[cH:4][cH:5][c:6]([CH:19]=[CH:20][c:21]3[cH:22][cH:23][c:24]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:30][cH:31]3)[cH:7][c:8]2[C:9]([C:12](=[O:13])[O:14][CH2:15][CH2:16][CH3:17])([OH:18])[CH2:10][CH2:11]1.[CH3:34][O:35][C:36]([NH:37][S:38]([N+:39]([CH2:40][CH3:41])([CH2:42][CH3:43])[CH2:44][CH3:45])(=[O:46])=[O:47])=[O:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:61][CH2:62][CH2:63][CH2:64][CH2:65][CH3:66].[OH-:33].[cH:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[CH3:1][C:2]1([CH3:32])[c:3]2[cH:4][cH:5][c:6]([CH:19]=[CH:20][c:21]3[cH:22][cH:23][c:24]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:30][cH:31]3)[cH:7][c:8]2[C:9]([C:12](=[O:13])[O:14][CH2:15][CH2:16][CH3:17])=[CH:10][CH2:11]1Participants
7
Sources & evidence
- ORD record
- ord-0bd88809258a456f8507542cbdc8f05d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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