Dimethyl Sulfoxide → HCID 16116973, compound

HRID 161806Notes

Reaction equation

HRID 161806 reaction equation
[CH2:49]([N:50]([CH:51]([CH3:52])[CH3:53])[CH:54]([CH3:55])[CH3:56])[CH3:57].[CH3:77][OH:78].[CH3:79][S:80]([CH3:81])=[O:82].[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][cH:9][c:10]([CH3:16])[c:11]([C:12](=[O:13])[OH:14])[cH:15]2)[cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[c:58]1([NH:64][c:65]2[n:66][cH:67][c:68]([NH2:71])[cH:69][n:70]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1.[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][cH:9][c:10]([CH3:16])[c:11]([C:12](=[O:13])[NH:71][c:68]3[cH:67][n:66][c:65]([NH:64][c:58]4[cH:59][cH:60][cH:61][cH:62][cH:63]4)[n:70][cH:69]3)[cH:15]2)[cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]1

Participants

9

Reactant 8

HCID 679Dimethyl SulfoxideHCID 887MethanolHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 59381879HCID 59381879, compoundHCID 59381915HCID 59381915, compound

Product 1

HCID 16116973HCID 16116973, compound

Sources & evidence

ORD record
ord-12f5d8f09c5c42408d731c11a9d551d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…