Trifluoroacetic acid → 1-(4-(6-Cyano-7-(piperidin-4-ylmethoxy)quinolin-4-yloxy)phenyl)-3-(thiazol-2-yl)urea

HRID 1570854Notes

Reaction equation

HRID 1570854 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][O:15][c:16]2[c:17]([C:42]#[N:43])[cH:18][c:19]3[c:20]([O:26][c:27]4[cH:28][cH:29][c:30]([NH:33][C:34](=[O:35])[NH:36][c:37]5[s:38][cH:39][cH:40][n:41]5)[cH:31][cH:32]4)[cH:21][cH:22][n:23][c:24]3[cH:25]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[OH:44][C:45]([C:46]([F:47])([F:48])[F:49])=[O:50]>>[NH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][O:15][c:16]2[c:17]([C:42]#[N:43])[cH:18][c:19]3[c:20]([O:26][c:27]4[cH:28][cH:29][c:30]([NH:33][C:34](=[O:35])[NH:36][c:37]5[s:38][cH:39][cH:40][n:41]5)[cH:31][cH:32]4)[cH:21][cH:22][n:23][c:24]3[cH:25]2)[CH2:12][CH2:13]1

Participants

3

Reactant 2

HCID 6422Trifluoroacetic acidHCID 865914824-{6-Cyano-4-[4-(3-thiazol-2-ylureido)phenoxy]quinolin-7-yloxymethyl}piperidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 229363771-(4-(6-Cyano-7-(piperidin-4-ylmethoxy)quinolin-4-yloxy)phenyl)-3-(thiazol-2-yl)urea

Sources & evidence

ORD record
ord-31f09d5dbc13405cac0105ce9694b850
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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