Benzene → HCID 19789761, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH2:9][CH2:10][c:11]1[cH:12][nH:13][c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]12)[CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH2:45]([N+:46]([CH2:47][CH2:48][CH2:49][CH3:50])([CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH3:61].[Na+:28].[OH-:27].[S:29](=[O:30])(=[O:31])([c:32]1[cH:33][cH:34][c:35]([CH3:36])[cH:37][cH:38]1)[Cl:39].[S:40]([O-:41])([OH:42])(=[O:43])=[O:44].[cH:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH2:9][CH2:10][c:11]1[cH:12][n:13]([S:29](=[O:30])(=[O:31])[c:32]2[cH:33][cH:34][c:35]([CH3:36])[cH:37][cH:38]2)[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]12)[CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1Participants
8
Sources & evidence
- ORD record
- ord-f2c704e3d25e443b9e2ffd2868996599
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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