p-Toluenesulfonate → HCID 46200054, compound
Reaction equation
[CH3:1][NH:2][CH2:3][c:4]1[c:5]([CH2:10][OH:11])[cH:6][cH:7][cH:8][cH:9]1.[F:12][C:13]([F:14])([F:15])[S:16]([O:17][c:18]1[c:19]2[c:20]([n:21][c:22]([NH:24][c:25]3[cH:26][cH:27][c:28](-[c:31]4[cH:32][n:33][cH:34][o:35]4)[cH:29][cH:30]3)[n:23]1)[CH2:36][CH2:37][N:38]([C:40]([CH3:41])=[O:42])[CH2:39]2)(=[O:43])=[O:44].[O-:45][S:46]([c:47]1[cH:48][cH:49][c:50]([CH3:51])[cH:52][cH:53]1)(=[O:54])=[O:55]>>[CH3:1][N:2]([CH2:3][c:4]1[c:5]([CH2:10][OH:11])[cH:6][cH:7][cH:8][cH:9]1)[c:18]1[c:19]2[c:20]([n:21][c:22]([NH:24][c:25]3[cH:26][cH:27][c:28](-[c:31]4[cH:32][n:33][cH:34][o:35]4)[cH:29][cH:30]3)[n:23]1)[CH2:36][CH2:37][N:38]([C:40]([CH3:41])=[O:42])[CH2:39]2Participants
4
Sources & evidence
- ORD record
- ord-87f9f9da3c60465c8f9bd74288dc3263
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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