Carbonate Ion → HCID 59278525, compound

HRID 2325130Notes

Reaction equation

HRID 2325130 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH3:43][S:44]([O:45][CH2:48][CH:49]1[O:50][C:51]2([CH2:52][CH2:53]2)[CH2:54][CH2:55]1)(=[O:46])=[O:47].[CH3:56][N:57]([CH3:58])[C:59](=[O:60])[CH3:61].[Cs+:41].[Cs+:42].[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([O:12][c:13]3[c:14]([F:36])[cH:15][c:16]([NH:19][C:20](=[O:21])[c:22]4[c:23](=[O:35])[n:24](-[c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)[n:25]([CH3:28])[c:26]4[CH3:27])[cH:17][cH:18]3)[cH:7][cH:8][n:9][c:10]2[cH:11]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([O:12][c:13]3[c:14]([F:36])[cH:15][c:16]([NH:19][C:20](=[O:21])[c:22]4[c:23](=[O:35])[n:24](-[c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)[n:25]([CH3:28])[c:26]4[CH3:27])[cH:17][cH:18]3)[cH:7][cH:8][n:9][c:10]2[cH:11]1)[CH2:48][CH:49]1[O:50][C:51]2([CH2:52][CH2:53]2)[CH2:54][CH2:55]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 178505252HCID 178505252, compound

Product 1

HCID 59278525HCID 59278525, compound

Sources & evidence

ORD record
ord-12b8869a2949436c852a845df7dab36c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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