Potassium Cation → HCID 66705452, compound

HRID 1123809Notes

Reaction equation

HRID 1123809 reaction equation
[C:55](=[O:56])([O-:57])[O-:58].[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:27][S:28](=[O:29])(=[O:30])[Cl:31].[CH:32]([CH3:33])([CH3:34])[c:35]1[c:36]([O:43][c:44]2[cH:45][c:46]([CH:51]=[CH:52][C:53]#[N:54])[cH:47][c:48]([CH3:50])[cH:49]2)[nH:37][c:38](=[O:42])[nH:39][c:40]1=[O:41].[CH:63]([Cl:64])([Cl:65])[Cl:66].[Cl:67][CH2:68][Cl:69].[F:1][c:2]1[n:3][c:4]([NH:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)[cH:5][c:6]([CH2:8][OH:9])[cH:7]1.[I-:61].[K+:59].[K+:60].[Li+:62].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74]>>[F:1][c:2]1[n:3][c:4]([NH:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)[cH:5][c:6]([CH2:8][n:37]2[c:36]([O:43][c:44]3[cH:45][c:46]([CH:51]=[CH:52][C:53]#[N:54])[cH:47][c:48]([CH3:50])[cH:49]3)[c:35]([CH:32]([CH3:33])[CH3:34])[c:40](=[O:41])[nH:39][c:38]2=[O:42])[cH:7]1

Participants

12

Reactant 11

HCID 813Potassium Cation2×HCID 6212ChloroformHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 19660Carbonate IonHCID 28486Lithium ionHCID 30165Iodide IonHCID 31297Methanesulfonyl chlorideHCID 59184650HCID 59184650, compoundHCID 667053313-[3-(5-Isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yloxy)-5-methyl-phenyl]-acrylonitrile

Product 1

HCID 66705452HCID 66705452, compound

Sources & evidence

ORD record
ord-d31ca430198d4d9d9ddeb8916f891482
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…