Bicarbonate Ion → N-(2-Chloro-4-((6-cyano-7-(4-piperidylmethoxy)-4-quinolyl)oxy)phenyl)-N'-cyclopropylurea

HRID 284006Notes

Reaction equation

HRID 284006 reaction equation
[C:50](=[O:51])([OH:52])[O-:53].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:8][c:9]1[cH:10][c:11]([O:12][c:13]2[cH:14][cH:15][n:16][c:17]3[cH:18][c:19]([O:25][CH2:26][CH:27]4[CH2:28][CH2:29][N:30]([C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[CH2:31][CH2:32]4)[c:20]([C:23]#[N:24])[cH:21][c:22]23)[cH:40][cH:41][c:42]1[NH:43][C:44](=[O:45])[NH:46][CH:47]1[CH2:48][CH2:49]1.[Na+:54].[OH2:61].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[Cl:8][c:9]1[cH:10][c:11]([O:12][c:13]2[cH:14][cH:15][n:16][c:17]3[cH:18][c:19]([O:25][CH2:26][CH:27]4[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]4)[c:20]([C:23]#[N:24])[cH:21][c:22]23)[cH:40][cH:41][c:42]1[NH:43][C:44](=[O:45])[NH:46][CH:47]1[CH2:48][CH2:49]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 22936576Tert-butyl 4-(((4-(3-chloro-4-((cyclopropylamino)carbonyl)aminophenoxy)-6-cyano-7-quinolyl)oxy)methyl)-1-piperidinecarboxylate

Product 1

HCID 22936852N-(2-Chloro-4-((6-cyano-7-(4-piperidylmethoxy)-4-quinolyl)oxy)phenyl)-N'-cyclopropylurea

Sources & evidence

ORD record
ord-5a8a2fa7d2dc4e6d8f538d38055d5b01
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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