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Carbonate Ion → N-(4-(7-(3-(7-hydroxy-5-azaspiro[2.4]heptane-5-yl)propoxy)quinolin-4-yloxy)-3-fluorophenyl)-2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-carboxamide

HRID 1542148
Notes
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Reaction equation

HRID 1542148 reaction equation
[C:53](=[O:54])([O-:55])[O-:56].[CH3:37][S:38]([O:39][CH2:42][CH2:43][CH2:44][N:45]1[CH2:46][C:47]2([CH2:48][CH2:49]2)[CH:50]([OH:52])[CH2:51]1)(=[O:40])=[O:41].[Cs+:57].[Cs+:58].[F:1][c:2]1[cH:3][c:4]([NH:20][C:21](=[O:22])[c:23]2[c:24](=[O:36])[n:25](-[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[n:26]([CH3:29])[c:27]2[CH3:28])[cH:5][cH:6][c:7]1[O:8][c:9]1[cH:10][cH:11][n:12][c:13]2[cH:14][c:15]([OH:19])[cH:16][cH:17][c:18]12>>[F:1][c:2]1[cH:3][c:4]([NH:20][C:21](=[O:22])[c:23]2[c:24](=[O:36])[n:25](-[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[n:26]([CH3:29])[c:27]2[CH3:28])[cH:5][cH:6][c:7]1[O:8][c:9]1[cH:10][cH:11][n:12][c:13]2[cH:14][c:15]([O:19][CH2:42][CH2:43][CH2:44][N:45]3[CH2:46][C:47]4([CH2:48][CH2:49]4)[CH:50]([OH:52])[CH2:51]3)[cH:16][cH:17][c:18]12
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 86640798HCID 86640798, compoundHCID 136347997N-(3-fluoro-4-((7-hydroxyquinolin-4-yl)oxy)phenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide

Product 1

HCID 46202278
N-(4-(7-(3-(7-hydroxy-5-azaspiro[2.4]heptane-5-yl)propoxy)quinolin-4-yloxy)-3-fluorophenyl)-2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-carboxamide

Sources & evidence

ORD record
ord-34b7659ff22242a6bb1e7f335ce4fb08
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes