Water → N-(4-{[6,7-bis(methyloxy)-2-(methylthio)quinolin-4-yl]oxy}-3-fluorophenyl)-N'-(4-fluoro-phenyl)cyclopropane-1,1-dicarboxamide

HRID 1126016Notes

Reaction equation

HRID 1126016 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:17][c:18]3[c:19]([F:25])[cH:20][c:21]([NH2:24])[cH:22][cH:23]3)[cH:7][c:8]([S:15][CH3:16])[n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[F:26][c:27]1[cH:28][cH:29][c:30]([NH:33][C:34](=[O:35])[C:36]2([C:39](=[O:40])[OH:41])[CH2:37][CH2:38]2)[cH:31][cH:32]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:66].[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48].[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[n:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:17][c:18]3[c:19]([F:25])[cH:20][c:21]([NH:24][C:39]([C:36]4([C:34]([NH:33][c:30]5[cH:29][cH:28][c:27]([F:26])[cH:32][cH:31]5)=[O:35])[CH2:37][CH2:38]4)=[O:40])[cH:22][cH:23]3)[cH:7][c:8]([S:15][CH3:16])[n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 210815301-[(4-Fluorophenyl)carbamoyl]cyclopropanecarboxylic AcidHCID 578100734-(6,7-Dimethoxy-2-methylsulfanyl-quinolin-4-yloxy)-3-fluorophenylamine

Product 1

HCID 57810395N-(4-{[6,7-bis(methyloxy)-2-(methylthio)quinolin-4-yl]oxy}-3-fluorophenyl)-N'-(4-fluoro-phenyl)cyclopropane-1,1-dicarboxamide

Sources & evidence

ORD record
ord-f5654e0c1e63448ca92fd5987ef92a91
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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