Acetone → HCID 13530982, compound
Reaction equation
[CH3:74][C:75](=[O:76])[CH3:77].[Na+:73].[OH2:63].[c:1]1([CH2:7][C:8](=[O:9])[NH:10][CH:11]2[C:12](=[O:43])[N:13]([CH:26]([C:27](=[O:28])[O:29][CH2:30][c:31]3[c:32]([N+:37](=[O:38])[O-:39])[cH:33][cH:34][cH:35][cH:36]3)[C:40](=[CH2:41])[CH3:42])[CH:14]2[S:15][S:16][c:17]2[s:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]3[n:25]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:44]1([S:50](=[O:51])([O:52][c:53]2[s:54][c:55]3[cH:56][cH:57][cH:58][cH:59][c:60]3[n:61]2)=[S:62])[cH:45][cH:46][cH:47][cH:48][cH:49]1.[c:64]1([S:65]([O-:66])=[O:67])[cH:68][cH:69][cH:70][cH:71][cH:72]1>>[c:1]1([CH2:7][C:8](=[O:9])[NH:10][CH:11]2[C:12](=[O:43])[N:13]([CH:26]([C:27](=[O:28])[O:29][CH2:30][c:31]3[c:32]([N+:37](=[O:38])[O-:39])[cH:33][cH:34][cH:35][cH:36]3)[C:40](=[CH2:41])[CH3:42])[CH:14]2[S:52][S:50]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)(=[O:51])=[O:62])[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
7
Sources & evidence
- ORD record
- ord-9be0c4de7ad84b4d8ac6b548bee3023f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…