Carbonate Ion → N-(4-(7-(4-oxaspiro[2.4]heptane-6-yloxy)quinolin-4-yloxy)-3-fluorophenyl)-N-phenylcyclopropane-1,1-dicarboxamide

HRID 99962Notes

Reaction equation

HRID 99962 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH2:1]1[CH2:2][C:3]12[O:4][CH2:5][CH:6]([CH2:8][S:9]([O-:10])(=[O:11])=[O:12])[CH2:7]2.[CH3:53][N:54]([CH3:55])[C:56](=[O:57])[CH3:58].[Cs+:51].[Cs+:52].[OH:13][c:14]1[cH:15][cH:16][c:17]2[c:18]([O:24][c:25]3[c:26]([F:46])[cH:27][c:28]([N:31]([C:32](=[O:33])[C:34]4([C:37](=[O:38])[NH2:39])[CH2:35][CH2:36]4)[c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[cH:29][cH:30]3)[cH:19][cH:20][n:21][c:22]2[cH:23]1>>[CH2:1]1[CH2:2][C:3]12[O:4][CH2:5][CH:6]([O:13][c:14]1[cH:15][cH:16][c:17]3[c:18]([O:24][c:25]4[c:26]([F:46])[cH:27][c:28]([N:31]([C:32](=[O:33])[C:34]5([C:37](=[O:38])[NH2:39])[CH2:35][CH2:36]5)[c:40]5[cH:41][cH:42][cH:43][cH:44][cH:45]5)[cH:29][cH:30]4)[cH:19][cH:20][n:21][c:22]3[cH:23]1)[CH2:7]2

Participants

6

Reactant 5

HCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 104967Cesium cation2×HCID 86640794HCID 86640794, compoundHCID 136347992N-(3-fluoro-4-(7-hydroxyquinolin-4-yloxy)phenyl)-N-phenylcyclopropane-1,1-dicarboxamide

Product 1

HCID 68635434N-(4-(7-(4-oxaspiro[2.4]heptane-6-yloxy)quinolin-4-yloxy)-3-fluorophenyl)-N-phenylcyclopropane-1,1-dicarboxamide

Sources & evidence

ORD record
ord-5af74725346742d59a3901317a1a54ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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