4-Toluenesulfonyl chloride → HCID 67237366, compound
Reaction equation
[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:27]1[CH2:28][CH:29]([CH2:31][OH:32])[CH2:30]1)[c:9]([CH2:25][CH3:26])[c:10]2-[c:11]1[cH:12][c:13]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:14][cH:15][cH:16]1.[OH:44][CH:45]1[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]1.[c:33]1([CH3:34])[cH:35][cH:36][c:37]([S:38]([Cl:39])(=[O:40])=[O:41])[cH:42][cH:43]1>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:27]1[CH2:28][CH:29]([CH2:31][N:48]3[CH2:47][CH2:46][CH:45]([OH:44])[CH2:50][CH2:49]3)[CH2:30]1)[c:9]([CH2:25][CH3:26])[c:10]2-[c:11]1[cH:12][c:13]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:14][cH:15][cH:16]1Participants
4
Sources & evidence
- ORD record
- ord-c0012e54c0f744d0bb8898a757b74a28
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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