Dimethyl Sulfoxide → HCID 178509980, compound

HRID 2337624Notes

Reaction equation

HRID 2337624 reaction equation
[CH3:39][S:40]([CH3:41])=[O:42].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[Cl:28][CH2:29][C:30](=[O:31])[N:32]1[CH:33]([C:37]#[N:38])[CH2:34][CH2:35][CH2:36]1.[K+:22].[K+:23].[O-:24][C:25]([O-:26])=[O:27].[n:1]1(-[c:6]2[cH:7][cH:8][c:9]([C:12]34[CH2:13][CH:14]5[CH2:15][CH:16]([CH2:17][C:18]5([NH2:20])[CH2:19]3)[CH2:21]4)[cH:10][cH:11]2)[cH:2][cH:3][cH:4][cH:5]1>>[n:1]1(-[c:6]2[cH:7][cH:8][c:9]([C:12]34[CH2:13][CH:14]5[CH2:15][CH:16]([CH2:17][C:18]5([NH:20][CH2:29][C:30](=[O:31])[N:32]5[CH:33]([C:37]#[N:38])[CH2:34][CH2:35][CH2:36]5)[CH2:19]3)[CH2:21]4)[cH:10][cH:11]2)[cH:2][cH:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 154801851-(2-Chloroacetyl)pyrrolidine-2-carbonitrileHCID 59374965HCID 59374965, compound

Product 1

HCID 178509980HCID 178509980, compound

Sources & evidence

ORD record
ord-727ee1cee7874bb2a9fbbff9024b59de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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