Water → HCID 59436271, compound

HRID 701755Notes

Reaction equation

HRID 701755 reaction equation
[C:29]([NH:30][NH2:31])(=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37].[C:52](=[O:53])([O-:54])[O-:55].[Cs+:56].[Cs+:57].[Cu:63][I:64].[F:1][c:2]1[c:3](-[n:9]2[n:10][c:11](-[c:18]3[cH:19][cH:20][n:21][n:22]3-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:12](=[O:17])[c:13]([O:15][CH3:16])[cH:14]2)[cH:4][cH:5][c:6]([I:8])[cH:7]1.[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH2:65].[cH:38]1[cH:39][c:40]2[cH:41][cH:42][c:43]3[c:44]([c:45]2[n:46][cH:47]1)[n:48][cH:49][cH:50][cH:51]3>>[F:1][c:2]1[c:3](-[n:9]2[n:10][c:11](-[c:18]3[cH:19][cH:20][n:21][n:22]3-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:12](=[O:17])[c:13]([O:15][CH3:16])[cH:14]2)[cH:4][cH:5][c:6]([N:30]([C:29](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[NH2:31])[cH:7]1

Participants

9

Reactant 8

HCID 962WaterHCID 13181,10-PhenanthrolineHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 70091tert-Butyl carbazateHCID 104967Cesium cation2×HCID 594362141-(2-fluoro-4-iodophenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Product 1

HCID 59436271HCID 59436271, compound

Sources & evidence

ORD record
ord-eed721a00d954d1fa250c90f2e242711
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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