Bicarbonate Ion → HCID 58072459, compound

HRID 1200367Notes

Reaction equation

HRID 1200367 reaction equation
[CH2:50]1[O:51][CH2:52][CH2:53][O:54][CH2:55]1.[Cu:61][I:62].[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.[K+:39].[K+:40].[K+:41].[NH2:42][CH:43]1[CH2:44][CH2:45][CH2:46][CH2:47][CH:48]1[NH2:49].[Na+:60].[O-:56][C:57]([OH:58])=[O:59].[O:29]=[C:30]1[CH2:31][CH2:32][NH:33]1.[P:34]([O-:35])([O-:36])([O-:37])=[O:38]>>[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[C:30](=[O:29])[CH2:31][CH2:32]2)[cH:7]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 813Potassium Cation3×HCID 923Sodium ionHCID 1061PhosphateHCID 46101,2-DiaminocyclohexaneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 1367212-AzetidinoneHCID 594362141-(2-fluoro-4-iodophenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Product 1

HCID 58072459HCID 58072459, compound

Sources & evidence

ORD record
ord-6fcafdb707304da398133f9e84ac8fb4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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