p-Toluenesulfonate → HCID 73855025, compound
Reaction equation
[CH2:1]([CH3:2])[NH:3][c:4]1[c:5]([N+:17]([O-:18])=[O:19])[cH:6][c:7]([NH:8][C:9]([C:10]([F:11])([F:12])[F:13])=[O:14])[cH:15][cH:16]1.[CH2:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[N:38]1[CH2+:39]([S:54][CH3:55])[S:40][C:41](=[C:44]2[S:45][c:46]3[c:47]([cH:50][cH:51][cH:52][cH:53]3)[N:48]2[CH3:49])[C:42]1=[O:43].[c:20]1([CH3:21])[cH:22][cH:23][c:24]([S:25]([O-:26])(=[O:27])=[O:28])[cH:29][cH:30]1>>[CH2:1]([CH3:2])[NH:3][c:4]1[c:5]([N:17]=[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][cH:51][cH:52][cH:53]4)[N:48]3[CH3:49])[S:40]2)[cH:6][c:7]([NH:8][C:9]([C:10]([F:11])([F:12])[F:13])=[O:14])[cH:15][cH:16]1Participants
3
Sources & evidence
- ORD record
- ord-a21166cea32f4470ab588a4f72325099
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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