Dimethyl Sulfoxide → HCID 87730857, compound
Reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[C:37]([CH3:38])([CH3:39])([CH3:40])[O:41][C:42](=[O:43])[NH:44][CH:45]1[CH2:46][NH:47][CH2:48][CH2:49][CH2:50]1.[CH2:1]([C:2]#[C:3][CH3:4])[n:5]1[c:6]([Cl:30])[n:7][c:8]2[c:9]1[c:10](=[O:29])[n:11]([CH2:18][c:19]1[n:20][c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]3[cH:27][cH:28]1)[n:12]([CH2:15][C:16]#[N:17])[c:13]2=[O:14].[CH3:52][S:53]([CH3:54])=[O:55].[K+:35].[K+:36].[OH2:51]>>[CH2:1]([C:2]#[C:3][CH3:4])[n:5]1[c:6]([N:47]2[CH2:46][CH:45]([NH:44][C:42]([O:41][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:43])[CH2:50][CH2:49][CH2:48]2)[n:7][c:8]2[c:9]1[c:10](=[O:29])[n:11]([CH2:18][c:19]1[n:20][c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]3[cH:27][cH:28]1)[n:12]([CH2:15][C:16]#[N:17])[c:13]2=[O:14]Participants
7
Sources & evidence
- ORD record
- ord-699151a84d2f46aeaf90ad5dec433817
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…