Benzene → HCID 178441002, compound
Reaction equation
[C:37]([CH3:38])([CH3:39])([CH3:40])[c:41]1[cH:42][c:43]([CH:44]=[O:45])[cH:46][c:47]([C:50]([CH3:51])([CH3:52])[CH3:53])[c:48]1[OH:49].[NH2:1][CH:2]1[CH:3]2[S:4][C:5]([C:10](=[O:11])[O:12][CH2:13][c:14]3[cH:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][cH:19]3)([N:23]3[C:24](=[O:36])[N:25]([N:28]=[CH:29][c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[CH2:26][CH2:27]3)[CH2:6][N:7]2[C:8]1=[O:9].[cH:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[N:1]([CH:2]1[CH:3]2[S:4][C:5]([C:10](=[O:11])[O:12][CH2:13][c:14]3[cH:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][cH:19]3)([N:23]3[C:24](=[O:36])[N:25]([N:28]=[CH:29][c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[CH2:26][CH2:27]3)[CH2:6][N:7]2[C:8]1=[O:9])=[CH:44][c:43]1[cH:42][c:41]([C:37]([CH3:38])([CH3:39])[CH3:40])[c:48]([OH:49])[c:47]([C:50]([CH3:51])([CH3:52])[CH3:53])[cH:46]1Participants
4
Sources & evidence
- ORD record
- ord-69f69dc1521749c19237ed67f2af49e8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…