4-Toluenesulfonyl chloride → HCID 9874557, compound
Reaction equation
[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[NH:13][c:14]2[n:15][c:16]([CH:34]3[CH2:35][CH2:36]3)[n:17][c:18]([O:29][CH2:30][CH2:31][CH2:32][NH2:33])[c:19]2[O:20][c:21]2[c:22]([O:27][CH3:28])[cH:23][cH:24][cH:25][cH:26]2)[n:8][cH:9]1.[c:37]1([CH3:47])[cH:38][cH:39][c:40]([S:43](=[O:44])(=[O:45])[Cl:46])[cH:41][cH:42]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[NH:13][c:14]2[n:15][c:16]([CH:34]3[CH2:35][CH2:36]3)[n:17][c:18]([O:29][CH2:30][CH2:31][CH2:32][NH:33][S:43]([c:40]3[cH:39][cH:38][c:37]([CH3:47])[cH:42][cH:41]3)(=[O:44])=[O:45])[c:19]2[O:20][c:21]2[c:22]([O:27][CH3:28])[cH:23][cH:24][cH:25][cH:26]2)[n:8][cH:9]1Participants
3
Sources & evidence
- ORD record
- ord-7a6465e689954ee9bff1731d927f8782
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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