Trifluoroacetic acid → N-(4-((6-Cyano-7-hydroxy-4-quinolyl)oxy)phenyl)-N'-(3-(methylsulfonyl)phenyl)urea

HRID 2332923Notes

Reaction equation

HRID 2332923 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:40]#[N:41])[cH:11][c:12]2[c:13]([O:19][c:20]3[cH:21][cH:22][c:23]([NH:26][C:27](=[O:28])[NH:29][c:30]4[cH:31][c:32]([S:36](=[O:37])(=[O:38])[CH3:39])[cH:33][cH:34][cH:35]4)[cH:24][cH:25]3)[cH:14][cH:15][n:16][c:17]2[cH:18]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[OH:50][C:51]([C:52]([F:53])([F:54])[F:55])=[O:56].[c:42]1([S:43][CH3:44])[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[OH:8][c:9]1[c:10]([C:40]#[N:41])[cH:11][c:12]2[c:13]([O:19][c:20]3[cH:21][cH:22][c:23]([NH:26][C:27](=[O:28])[NH:29][c:30]4[cH:31][c:32]([S:36](=[O:37])(=[O:38])[CH3:39])[cH:33][cH:34][cH:35]4)[cH:24][cH:25]3)[cH:14][cH:15][n:16][c:17]2[cH:18]1

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 7520ThioanisoleHCID 8857Ethyl AcetateHCID 22936455N-(4-(7-(Benzyloxy)-6-cyano-4-quinolyl)oxyphenyl)-N'-(3-(methylsulfonyl)phenyl)urea

Product 1

HCID 135829382N-(4-((6-Cyano-7-hydroxy-4-quinolyl)oxy)phenyl)-N'-(3-(methylsulfonyl)phenyl)urea

Sources & evidence

ORD record
ord-3d6683dc5aac4db3b7182254e7965146
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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