Dimethyl Sulfoxide → HCID 57461045, compound
Reaction equation
[Br:1][c:2]1[c:3]([CH2:27][CH3:28])[n:4][c:5]([CH2:24][CH2:25][CH3:26])[n:6]([CH2:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[c:17]([C:22]#[N:23])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]2)[c:7]1=[O:8].[CH3:29][c:30]1[c:31]([OH:37])[cH:32][n:33][c:34]([CH3:36])[cH:35]1.[CH3:40][S:41](=[O:42])[CH3:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[K+:39].[OH-:38]>>[c:2]1([O:37][c:31]2[c:30]([CH3:29])[cH:35][c:34]([CH3:36])[n:33][cH:32]2)[c:3]([CH2:27][CH3:28])[n:4][c:5]([CH2:24][CH2:25][CH3:26])[n:6]([CH2:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[c:17]([C:22]#[N:23])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]2)[c:7]1=[O:8]Participants
7
Sources & evidence
- ORD record
- ord-ec0b91e88767452f928137708042e0a6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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