Potassium Cation → N-cyclopropyl-4-methyl-3-[3-[[1-[2-(oxiran-2-ylmethoxy)phenyl]cyclopropyl]amino]-2-oxopyrazin-1-yl]benzamide

HRID 1233217Notes

Reaction equation

HRID 1233217 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH:9]1([NH:12][C:13]([c:14]2[cH:15][c:16](-[n:21]3[c:22](=[O:38])[c:23]([NH:27][C:28]4([c:31]5[c:32]([OH:37])[cH:33][cH:34][cH:35][cH:36]5)[CH2:29][CH2:30]4)[n:24][cH:25][cH:26]3)[c:17]([CH3:20])[cH:18][cH:19]2)=[O:39])[CH2:10][CH2:11]1.[Cs+:8].[F-:7].[K+:5].[K+:6].[N+:40]([c:41]1[cH:42][c:43]([S:44]([O:45][CH2:53][CH:54]2[O:55][CH2:56]2)(=[O:46])=[O:47])[cH:48][cH:49][cH:50]1)([O-:51])=[O:52].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61]>>[CH:9]1([NH:12][C:13]([c:14]2[cH:15][c:16](-[n:21]3[c:22](=[O:38])[c:23]([NH:27][C:28]4([c:31]5[c:32]([O:37][CH2:53][CH:54]6[O:55][CH2:56]6)[cH:33][cH:34][cH:35][cH:36]5)[CH2:29][CH2:30]4)[n:24][cH:25][cH:26]3)[c:17]([CH3:20])[cH:18][cH:19]2)=[O:39])[CH2:10][CH2:11]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 28179Fluoride IonHCID 104967Cesium cationHCID 286836(Oxiran-2-yl)methyl 3-nitrobenzene-1-sulfonateHCID 66688774N-Cyclopropyl-3-(3-(1-(2-hydroxyphenyl)cyclopropylamino)-2-oxopyrazin-1(2H)-yl)-4-methylbenzamide

Product 1

HCID 87109409N-cyclopropyl-4-methyl-3-[3-[[1-[2-(oxiran-2-ylmethoxy)phenyl]cyclopropyl]amino]-2-oxopyrazin-1-yl]benzamide

Sources & evidence

ORD record
ord-007a8fb0f35b4db28546362ba8a76e08
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…