Dimethyl Sulfoxide → HCID 21082100, compound

HRID 308358Notes

Reaction equation

HRID 308358 reaction equation
[C-:36]#[N:37].[CH3:46][S:47]([CH3:48])=[O:49].[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:9]([c:10]2[cH:11][c:12]3[c:13](-[c:22]4[cH:23][c:24]([Cl:28])[cH:25][cH:26][cH:27]4)[cH:14][c:15](=[O:21])[n:16]([CH3:20])[c:17]3[cH:18][cH:19]2)([c:29]2[cH:30][n:31][cH:32][n:33]2[CH3:34])[OH:35])[cH:7][cH:8]1.[K+:40].[K+:41].[Na+:38].[O-:42][C:43]([O-:44])=[O:45].[OH2:39]>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([C:9]([c:10]2[cH:11][c:12]3[c:13](-[c:22]4[cH:23][c:24]([Cl:28])[cH:25][cH:26][cH:27]4)[cH:14][c:15](=[O:21])[n:16]([CH3:20])[c:17]3[cH:18][cH:19]2)([c:29]2[cH:30][n:31][cH:32][n:33]2[CH3:34])[OH:35])[cH:7][cH:8]1)[C:36]#[N:37]

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 5975CyanideHCID 19660Carbonate IonHCID 21082106(+/-)-6-[[4-(chloromethyl)phenyl]hydroxy(1-methyl-1H-imidazol-5-yl)methyl]-4(3-chlorophenyl)-1-methyl-2(1H)-quinolinone

Product 1

HCID 21082100HCID 21082100, compound

Sources & evidence

ORD record
ord-a753466566ef4cf996544d490381470f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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