Dimethyl Sulfoxide → HCID 178504985, compound

HRID 314642Notes

Reaction equation

HRID 314642 reaction equation
[CH3:51][OH:52].[CH3:53][S:54](=[O:55])[CH3:56].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]2[CH:8]3[CH:9]4[CH2:10][CH2:11][CH:12]([CH:13]3[C:14]([OH:35])=[C:15]([C:18]3=[N:19][S:20](=[O:33])(=[O:34])[c:21]5[c:22]([cH:24][cH:25][c:26]([NH:28][S:29](=[O:30])(=[O:31])[CH3:32])[cH:27]5)[NH:23]3)[C:16]2=[O:17])[CH2:36]4)[cH:37][cH:38]1.[K+:62].[K+:63].[K+:64].[O:39]=[CH:40][CH:41]([CH:42]([CH:43]([CH:44]([CH2:45][OH:46])[OH:47])[OH:48])[OH:49])[OH:50].[P:57]([O-:58])([O-:59])([O-:60])=[O:61]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]2[CH:8]3[CH:9]4[CH2:10][CH:11]([OH:39])[CH:12]([CH:13]3[C:14]([OH:35])=[C:15]([C:18]3=[N:19][S:20](=[O:33])(=[O:34])[c:21]5[c:22]([cH:24][cH:25][c:26]([NH:28][S:29](=[O:30])(=[O:31])[CH3:32])[cH:27]5)[NH:23]3)[C:16]2=[O:17])[CH2:36]4)[cH:37][cH:38]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation3×HCID 887MethanolHCID 1061PhosphateHCID 24749GlyTouCan:G09597LJHCID 135916026HCID 135916026, compound

Product 1

HCID 178504985HCID 178504985, compound

Sources & evidence

ORD record
ord-d72c918b291b4f78b4de09a1020039ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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