Dimethyl Sulfoxide → HCID 77179036, compound

HRID 156403Notes

Reaction equation

HRID 156403 reaction equation
[CH2:56]1[O:57][CH2:58][CH2:59][O:60][CH2:61]1.[CH3:62][S:63]([CH3:64])=[O:65].[F:1][c:2]1[c:3]([S:9](=[O:10])(=[O:11])[NH:12][c:13]2[c:14]([O:52][CH3:53])[n:15][cH:16][c:17](-[c:19]3[cH:20][c:21](-[c:37]4[o:38][c:39]([CH2:42][N:43]5[CH2:44][CH:45]6[N:46]([CH2:47][CH2:48]5)[CH2:49][CH2:50][CH2:51]6)[n:40][n:41]4)[c:22]4[cH:23][n:24][n:25]([S:28]([c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)(=[O:35])=[O:36])[c:26]4[cH:27]3)[cH:18]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[Na+:55].[OH-:54]>>[F:1][c:2]1[c:3]([S:9](=[O:10])(=[O:11])[NH:12][c:13]2[c:14]([O:52][CH3:53])[n:15][cH:16][c:17](-[c:19]3[cH:20][c:21](-[c:37]4[o:38][c:39]([CH2:42][N:43]5[CH2:44][CH:45]6[N:46]([CH2:47][CH2:48]5)[CH2:49][CH2:50][CH2:51]6)[n:40][n:41]4)[c:22]4[cH:23][n:24][nH:25][c:26]4[cH:27]3)[cH:18]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 961HydroxideHCID 312751,4-DioxaneHCID 178494075HCID 178494075, compound

Product 1

HCID 77179036HCID 77179036, compound

Sources & evidence

ORD record
ord-c8f105e04c584f5bb67c2959e137ffa8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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