Dimethyl Sulfoxide → HCID 59627386, compound

HRID 2143414Notes

Reaction equation

HRID 2143414 reaction equation
[CH3:18][c:19]1[c:20]([NH2:41])[c:21]2[cH:22][cH:23][n:24][c:25]([NH:29][c:30]3[c:31]([CH3:40])[cH:32][cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]3)[c:26]2[cH:27][cH:28]1.[CH3:56][S:57]([CH3:58])=[O:59].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:1][c:2]1[n:3][cH:4][c:5](-[c:9]2[c:10]3[c:11]([n:12][cH:13][n:14]2)[nH:15][cH:16][cH:17]3)[c:6]([Cl:8])[n:7]1.[Na+:55].[O-:51][C:52]([OH:53])=[O:54]>>[Cl:1][c:2]1[n:3][cH:4][c:5](-[c:9]2[c:10]3[c:11]([n:12][cH:13][n:14]2)[nH:15][cH:16][cH:17]3)[c:6]([NH:41][c:20]2[c:19]([CH3:18])[cH:28][cH:27][c:26]3[c:21]2[cH:22][cH:23][n:24][c:25]3[NH:29][c:30]2[c:31]([CH3:40])[cH:32][cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]2)[n:7]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 81531DiisopropylethylamineHCID 67368479HCID 67368479, compoundHCID 86649312HCID 86649312, compound

Product 1

HCID 59627386HCID 59627386, compound

Sources & evidence

ORD record
ord-9d29402e18614389aa96ac44abe0b9d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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