Dimethyl Sulfoxide → HCID 86654581, compound

HRID 315455Notes

Reaction equation

HRID 315455 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH3:52][S:53]([CH3:54])=[O:55].[Cl:1][c:2]1[cH:3][c:4]([C:32]([F:33])([F:34])[F:35])[c:5]([CH2:6][n:7]2[n:8][cH:9][c:10]3[cH:11][c:12]([CH:16]=[C:17]4[C:18](=[O:29])[N:19]=[C:20]([N:22]5[CH2:23][CH2:24][NH:25][CH2:26][CH2:27][CH2:28]5)[S:21]4)[cH:13][cH:14][c:15]23)[cH:30][cH:31]1.[F:42][C:43]([CH2:44][O:45][S:46]([CH3:47])(=[O:48])=[O:49])([F:50])[F:51].[K+:40].[K+:41]>>[Cl:1][c:2]1[cH:3][c:4]([C:32]([F:33])([F:34])[F:35])[c:5]([CH2:6][n:7]2[n:8][cH:9][c:10]3[cH:11][c:12]([CH:16]=[C:17]4[C:18](=[O:29])[N:19]=[C:20]([N:22]5[CH2:23][CH2:24][N:25]([CH2:44][C:43]([F:42])([F:50])[F:51])[CH2:26][CH2:27][CH2:28]5)[S:21]4)[cH:13][cH:14][c:15]23)[cH:30][cH:31]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 5565652,2,2-Trifluoroethyl MethanesulfonateHCID 67240905HCID 67240905, compound

Product 1

HCID 86654581HCID 86654581, compound

Sources & evidence

ORD record
ord-00e1abcf5cb64ed981b3eb7a45e0e81b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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