Carbonate Ion → HCID 59278578, compound

HRID 169802Notes

Reaction equation

HRID 169802 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][S:43]([O:44][CH2:47][CH2:48][CH2:49][N:50]([CH:51]1[CH2:52][O:53][C:54]2([CH2:55][CH2:56]2)[CH2:57]1)[C:58](=[O:59])[O:60][C:61]([CH3:62])([CH3:63])[CH3:64])(=[O:45])=[O:46].[CH3:65][N:66]([CH3:67])[C:68](=[O:69])[CH3:70].[Cs+:40].[Cs+:41].[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([O:12][c:13]3[cH:14][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])[n: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[cH:14][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])[n:17][cH:18]3)[cH:7][cH:8][n:9][c:10]2[cH:11]1)[CH2:47][CH2:48][CH2:49][N:50]([CH:51]1[CH2:52][O:53][C:54]2([CH2:55][CH2:56]2)[CH2:57]1)[C:58](=[O:59])[O:60][C:61]([CH3:62])([CH3:63])[CH3:64]

Participants

6

Reactant 5

HCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 104967Cesium cation2×HCID 86640797HCID 86640797, compoundHCID 136341064N-(5-(7-hydroxyquinolin-4-yloxy)pyridin-2-yl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide

Product 1

HCID 59278578HCID 59278578, compound

Sources & evidence

ORD record
ord-b88c877c4e434a5397e2d9265198d111
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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