p-Toluenesulfonate → HCID 73855032, compound
Reaction equation
[CH2:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[N:38]1[CH2+:39]([S:59][CH3:60])[S:40][C:41](=[C:44]2[S:45][c:46]3[c:47]([cH:50][c:51]([O:54][CH2:55][CH2:56][O:57][CH3:58])[cH:52][cH:53]3)[N:48]2[CH3:49])[C:42]1=[O:43].[CH3:1][N:2]([CH2:3][C:4](=[O:5])[NH:6][c:7]1[cH:8][c:9]([N+:16]([O-:17])=[O:18])[c:10]([NH:13][CH2:14][CH3:15])[cH:11][cH:12]1)[CH3:19].[c:20]1([CH3:21])[cH:22][cH:23][c:24]([S:25]([O-:26])(=[O:27])=[O:28])[cH:29][cH:30]1>>[CH3:1][N:2]([CH2:3][C:4](=[O:5])[NH:6][c:7]1[cH:8][c:9]([N:16]=[C:39]2[N:38]([CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[C:42](=[O:43])[C:41](=[C:44]3[S:45][c:46]4[c:47]([cH:50][c:51]([O:54][CH2:55][CH2:56][O:57][CH3:58])[cH:52][cH:53]4)[N:48]3[CH3:49])[S:40]2)[c:10]([NH:13][CH2:14][CH3:15])[cH:11][cH:12]1)[CH3:19]Participants
3
Sources & evidence
- ORD record
- ord-a64540cc3cc24a19b90ad9aada1ad10c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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