Benzene → HCID 20277357, compound
Reaction equation
[CH2:29]([CH3:30])[N:31]([CH2:32][CH2:33][NH2:34])[CH2:35][CH3:36].[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[CH:6]([c:13]2[c:14]([N+:19](=[O:20])[O-:21])[cH:15][cH:16][cH:17][cH:18]2)[C:5]([C:22](=[O:23])[O:24][CH2:25][CH3:26])=[C:4]([CH:27]=[O:28])[NH:3]1.[CH3:48][CH2:49][O:50][CH2:51][CH3:52].[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([OH:43])(=[O:44])=[O:45])[cH:46][cH:47]1.[cH:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[CH:6]([c:13]2[c:14]([N+:19](=[O:20])[O-:21])[cH:15][cH:16][cH:17][cH:18]2)[C:5]([C:22](=[O:23])[O:24][CH2:25][CH3:26])=[C:4]([CH:27]=[N:34][CH2:33][CH2:32][N:31]([CH2:29][CH3:30])[CH2:35][CH3:36])[NH:3]1Participants
6
Sources & evidence
- ORD record
- ord-9c9e00a79b4e496a91324444760a6e7c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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