4-Toluenesulfonyl chloride → HCID 18979284, compound
Reaction equation
[NH2:32][c:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41][c:42]1[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][C:49](=[O:50])[O:51][CH2:52][O:53][CH3:54].[S:1](=[O:2])(=[O:3])([c:4]1[cH:5][cH:6][c:7]([CH3:8])[cH:9][cH:10]1)[NH:11][c:12]1[c:13]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][C:28](=[O:29])[NH:30][OH:31])[cH:14][cH:15][c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]12.[S:55]([Cl:56])([c:57]1[cH:58][cH:59][c:60]([CH3:61])[cH:62][cH:63]1)(=[O:64])=[O:65]>>[S:1](=[O:2])(=[O:3])([c:4]1[cH:5][cH:6][c:7]([CH3:8])[cH:9][cH:10]1)[NH:11][c:12]1[c:13]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][C:28]([OH:29])=[O:50])[cH:14][cH:15][c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]12Participants
4
Sources & evidence
- ORD record
- ord-ff5fa4f4fda7472a9ff2fac2a19d46ad
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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