p-Toluenesulfonate → HCID 73855083, compound
Reaction equation
[CH2:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[N:39]1[CH2+:40]([S:55][CH3:56])[S:41][C:42](=[C:45]2[S:46][c:47]3[c:48]([cH:51][cH:52][cH:53][cH:54]3)[N:49]2[CH3:50])[C:43]1=[O:44].[CH3:1][N:2]([CH2:3][CH2:4][NH:5][C: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)=[O:19])[CH3:20].[c:21]1([CH3:22])[cH:23][cH:24][c:25]([S:26]([O-:27])(=[O:28])=[O:29])[cH:30][cH:31]1>>[CH3:1][N:2]([CH2:3][CH2:4][NH:5][C:6]([c:7]1[cH:8][c:9]([N:16]=[C:40]2[N:39]([CH2:32][c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[C:43](=[O:44])[C:42](=[C:45]3[S:46][c:47]4[c:48]([cH:51][cH:52][cH:53][cH:54]4)[N:49]3[CH3:50])[S:41]2)[c:10]([NH:13][CH2:14][CH3:15])[cH:11][cH:12]1)=[O:19])[CH3:20]Participants
3
Sources & evidence
- ORD record
- ord-d31057c2962649b2b56d7b82b6bd676b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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