Water → Balipodect

HRID 2320901Notes

Reaction equation

HRID 2320901 reaction equation
[C:44](=[O:45])([O-:46])[O-:47].[CH3:50][C:51]#[N:52].[CH:34](=[N:35][OH:36])[c:37]1[c:38]([OH:43])[cH:39][cH:40][cH:41][cH:42]1.[Cs+:48].[Cs+:49].[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.[OH2:53].[nH:29]1[n:30][cH:31][cH:32][cH:33]1>>[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:29]2[n:30][cH:31][cH:32][cH:33]2)[cH:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 1048PyrazoleHCID 6342AcetonitrileHCID 7200Salicylaldehyde oximeHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 594362141-(2-fluoro-4-iodophenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Product 1

HCID 46848915Balipodect

Sources & evidence

ORD record
ord-3eb32d191e37454e8678f06f766428ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…