Water → HCID 46848916, compound

HRID 1556099Notes

Reaction equation

HRID 1556099 reaction equation
[C:45](=[O:46])([O-:47])[O-:48].[CH3:51][C:52]#[N:53].[CH:35](=[N:36][OH:37])[c:38]1[c:39]([OH:44])[cH:40][cH:41][cH:42][cH:43]1.[Cl:29][c:30]1[cH:31][n:32][nH:33][cH:34]1.[Cs+:49].[Cs+:50].[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.[OH2:54]>>[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:33]2[n:32][cH:31][c:30]([Cl:29])[cH:34]2)[cH:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 6342AcetonitrileHCID 7200Salicylaldehyde oximeHCID 19660Carbonate IonHCID 275241H-Pyrazole, 4-chloro-HCID 104967Cesium cation2×HCID 594362141-(2-fluoro-4-iodophenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Product 1

HCID 46848916HCID 46848916, compound

Sources & evidence

ORD record
ord-ed987feb8fe14dd4a8e798582b9f1c4f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…