Carbonate Ion → N-(4-(7-(3-(1-hydroxycyclopropyl)propoxy)-6-methoxyquinolin-4-yloxy)-3-fluorophenyl)-N-phenylcyclopropane-1,1-dicarboxamide

HRID 1550150Notes

Reaction equation

HRID 1550150 reaction equation
[C:49](=[O:50])([O-:51])[O-:52].[CH3:37][S:38]([O:39][CH2:42][CH2:43][CH2:44][C:45]1([OH:48])[CH2:46][CH2:47]1)(=[O:40])=[O:41].[Cs+:53].[Cs+:54].[OH:1][c:2]1[c:3]([O:35][CH3:36])[cH:4][c:5]2[c:6]([O:12][c:13]3[c:14]([F:34])[cH:15][c:16]([N:19]([C:20](=[O:21])[C:22]4([C:25](=[O:26])[NH2:27])[CH2:23][CH2:24]4)[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:17][cH:18]3)[cH:7][cH:8][n:9][c:10]2[cH:11]1>>[O:1]([c:2]1[c:3]([O:35][CH3:36])[cH:4][c:5]2[c:6]([O:12][c:13]3[c:14]([F:34])[cH:15][c:16]([N:19]([C:20](=[O:21])[C:22]4([C:25](=[O:26])[NH2:27])[CH2:23][CH2:24]4)[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:17][cH:18]3)[cH:7][cH:8][n:9][c:10]2[cH:11]1)[CH2:42][CH2:43][CH2:44][C:45]1([OH:48])[CH2:46][CH2:47]1

Participants

5

Reactant 4

HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 86640796HCID 86640796, compoundHCID 136381441N-(3-fluoro-4-(7-hydroxy-6-methoxyquinolin-4-yloxy)phenyl)-N-phenylcyclopropane-1,1-dicarboxamide

Product 1

HCID 68636414N-(4-(7-(3-(1-hydroxycyclopropyl)propoxy)-6-methoxyquinolin-4-yloxy)-3-fluorophenyl)-N-phenylcyclopropane-1,1-dicarboxamide

Sources & evidence

ORD record
ord-21bfc6d4e2c04b3492fb4bdf3bcd1388
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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