Dimethyl Sulfoxide → HCID 57900435, compound

HRID 305712Notes

Reaction equation

HRID 305712 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]2[c:12]([n:13]1)-[c:11]1[c:10]([cH:16][c:15](-[c:17]3[n:18][nH:19][n:20][c:21]3-[c:22]3[c:23]([F:29])[cH:24][c:25]([F:28])[cH:26][cH:27]3)[s:14]1)[CH2:9][CH2:8][O:7]2.[C:34](=[O:35])([O-:36])[O-:37].[CH3:30][S:31]([CH3:32])=[O:33].[K+:38].[K+:39].[Na+:47].[OH2:40].[OH:41][OH:42].[S:43](=[O:44])([OH:45])[O-:46]>>[C:1]([NH2:2])([c:3]1[cH:4][cH:5][c:6]2[c:12]([n:13]1)-[c:11]1[c:10]([cH:16][c:15](-[c:17]3[n:18][nH:19][n:20][c:21]3-[c:22]3[c:23]([F:29])[cH:24][c:25]([F:28])[cH:26][cH:27]3)[s:14]1)[CH2:9][CH2:8][O:7]2)=[O:33]

Participants

9

Reactant 8

HCID 679Dimethyl SulfoxideHCID 784Hydrogen PeroxideHCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 19660Carbonate IonHCID 104748BisulfiteHCID 579001874-(2-cyano-6,7-dihydropyrido[3,2-b]thieno[2,3-d]oxepin-9-yl)-5-(2,4-difluorophenyl)-2H-1,2,3-triazole

Product 1

HCID 57900435HCID 57900435, compound

Sources & evidence

ORD record
ord-4e7157d5d10449b4a606f689126b7ab5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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