Potassium Cation → Di-tert-butyl (3-(4-(3-chloro-2-(diphenylmethyleneamino)pyridin-4-yloxy)-3-fluorophenylcarbamoyl)-5-(4-fluorophenyl)-4-oxopyridin-1(4H)-yl)methyl phosphate

HRID 668145Notes

Reaction equation

HRID 668145 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[Cl:1][c:2]1[c:3]([N:33]=[C:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[n:4][cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]([F:32])[cH:11][c:12]([NH:15][C:16](=[O:17])[c:18]2[cH:19][nH:20][cH:21][c:22](-[c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[c:23]2=[O:24])[cH:13][cH:14]1.[Cs+:51].[Cs+:52].[I-:54].[K+:53].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[P:55](=[O:56])([O:57][C:58]([CH3:59])([CH3:60])[CH3:61])([O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[O:67][CH2:68][Cl:69]>>[Cl:1][c:2]1[c:3]([N:33]=[C:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[n:4][cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]([F:32])[cH:11][c:12]([NH:15][C:16](=[O:17])[c:18]2[cH:19][n:20]([CH2:68][O:67][P:55](=[O:56])([O:57][C:58]([CH3:59])([CH3:60])[CH3:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[cH:21][c:22](-[c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[c:23]2=[O:24])[cH:13][cH:14]1

Participants

8

Reactant 7

HCID 813Potassium CationHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 104967Cesium cation2×HCID 11701630Di-tert-butyl (chloromethyl) phosphateHCID 86650689N-(4-((3-Chloro-2-((diphenylmethylene)amino)pyridin-4-yl)oxy)-3-fluorophenyl)-5-(4-fluorophenyl)-4-oxo-1,4-dihydropyridine-3-carboxamide

Product 1

HCID 86650690Di-tert-butyl (3-(4-(3-chloro-2-(diphenylmethyleneamino)pyridin-4-yloxy)-3-fluorophenylcarbamoyl)-5-(4-fluorophenyl)-4-oxopyridin-1(4H)-yl)methyl phosphate

Sources & evidence

ORD record
ord-3d20d18e588a4b529cfe0a99d8cc033f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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