Carbonate Ion → HCID 70898221, compound

HRID 696123Notes

Reaction equation

HRID 696123 reaction equation
[C:51](=[O:52])([O-:53])[O-:54].[CH3:1][S:2](=[O:3])(=[O:4])[O:5][CH2:6][CH:7]1[N:8]([CH3:14])[C:9]2([CH2:10][CH2:11]2)[CH2:12][CH2:13]1.[CH3:57][N:58]([CH3:59])[C:60](=[O:61])[CH3:62].[Cs+:55].[Cs+:56].[OH:15][c:16]1[cH:17][cH:18][c:19]2[c:20]([O:26][c:27]3[c:28]([F:50])[cH:29][c:30]([NH:33][C:34](=[O:35])[c:36]4[c:37](=[O:49])[n:38](-[c:43]5[cH:44][cH:45][cH:46][cH:47][cH:48]5)[n:39]([CH3:42])[c:40]4[CH3:41])[cH:31][cH:32]3)[cH:21][cH:22][n:23][c:24]2[cH:25]1>>[O:5]([CH2:6][CH:7]1[N:8]([CH3:14])[C:9]2([CH2:10][CH2:11]2)[CH2:12][CH2:13]1)[c:16]1[cH:17][cH:18][c:19]2[c:20]([O:26][c:27]3[c:28]([F:50])[cH:29][c:30]([NH:33][C:34](=[O:35])[c:36]4[c:37](=[O:49])[n:38](-[c:43]5[cH:44][cH:45][cH:46][cH:47][cH:48]5)[n:39]([CH3:42])[c:40]4[CH3:41])[cH:31][cH:32]3)[cH:21][cH:22][n:23][c:24]2[cH:25]1

Participants

6

Reactant 5

HCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 104967Cesium cation2×HCID 136347997N-(3-fluoro-4-((7-hydroxyquinolin-4-yl)oxy)phenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamideHCID 141619495HCID 141619495, compound

Product 1

HCID 70898221HCID 70898221, compound

Sources & evidence

ORD record
ord-aae473730f00412e9b6b9c21e50d51a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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