Potassium Cation → HCID 53813014, compound

HRID 2123524Notes

Reaction equation

HRID 2123524 reaction equation
[C:54](=[O:55])([O-:56])[O-:57].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[CH3:72][CH2:73][N:74]([CH2:75][CH3:76])[CH2:77][CH3:78].[Cl:1][c:2]1[c:3]([CH2:30][OH:31])[c:4]([Cl:29])[cH:5][cH:6][c:7]1[N:8]([CH3:9])[C:10]([CH2:11][NH:12][C:13]([CH:14]=[CH:15][c:16]1[cH:17][n:18][c:19]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:20][cH:21]1)=[O:27])=[O:28].[K+:58].[K+:59].[OH2:71].[OH:37][c:38]1[cH:39][cH:40][cH:41][c:42]2[c:43](-[n:49]3[cH:50][n:51][cH:52][cH:53]3)[cH:44][c:45]([CH3:48])[n:46][c:47]12.[S:32]([Cl:33])([CH3:34])(=[O:35])=[O:36]>>[Cl:1][c:2]1[c:3]([CH2:30][O:31][c:38]2[cH:39][cH:40][cH:41][c:42]3[c:43](-[n:49]4[cH:50][n:51][cH:52][cH:53]4)[cH:44][c:45]([CH3:48])[n:46][c:47]23)[c:4]([Cl:29])[cH:5][cH:6][c:7]1[N:8]([CH3:9])[C:10]([CH2:11][NH:12][C:13]([CH:14]=[CH:15][c:16]1[cH:17][n:18][c:19]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:20][cH:21]1)=[O:27])=[O:28]

Participants

10

Reactant 9

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 31297Methanesulfonyl chlorideHCID 184042364-(1H-Imidazol-1-yl)-2-methylquinolin-8-olHCID 53852719ethyl 5-[3-[[2-[2,4-dichloro-3-(hydroxymethyl)-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]pyridine-2-carboxylate

Product 1

HCID 53813014HCID 53813014, compound

Sources & evidence

ORD record
ord-268da9dd052843faa06c2edc2d86ba18
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…