Dimethyl Sulfoxide → 3-(5'-Chloro-2'-oxospiro[1,3-dioxane-2,3'-indol]-1'(2'H)-yl)-2,2-dimethylpropanenitrile

HRID 1226276Notes

Reaction equation

HRID 1226276 reaction equation
[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:31][S:32]([CH3:33])=[O:34].[Cl:23][CH2:24][C:25]([C:26]#[N:27])([CH3:28])[CH3:29].[Cl:7][c:8]1[cH:9][c:10]2[c:11]([cH:12][cH:13]1)[NH:14][C:15](=[O:22])[C:16]21[O:17][CH2:18][CH2:19][CH2:20][O:21]1.[K+:6].[OH2:30]>>[Cl:7][c:8]1[cH:9][c:10]2[c:11]([cH:12][cH:13]1)[N:14]([CH2:24][C:25]([C:26]#[N:27])([CH3:28])[CH3:29])[C:15](=[O:22])[C:16]21[O:17][CH2:18][CH2:19][CH2:20][O:21]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 962WaterHCID 45749132-Methylpropan-2-olateHCID 49144145'-chlorospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-oneHCID 147139153-Chloro-2,2-dimethylpropanenitrile

Product 1

HCID 589325223-(5'-Chloro-2'-oxospiro[1,3-dioxane-2,3'-indol]-1'(2'H)-yl)-2,2-dimethylpropanenitrile

Sources & evidence

ORD record
ord-157a2a6adb8e485d88a0dfc55dc145aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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