Potassium Cation → N-[2-Chloro-4-({6-methoxy-7-[2-(1H-1,2,3-triazol-1-yl)ethoxy]-4-quinolyl}oxy)phenyl]-N'-(2,4-difluorophenyl)urea

HRID 1119449Notes

Reaction equation

HRID 1119449 reaction equation
[C:34](=[O:35])([O-:36])[O-:37].[CH3:40][c:41]1[cH:42][cH:43][c:44]([S:45]([O:46][CH2:51][CH2:52][n:53]2[n:54][n:55][cH:56][cH:57]2)(=[O:47])=[O:48])[cH:49][cH:50]1.[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl:1][c:2]1[c:3]([NH:22][C:23](=[O:24])[NH:25][c:26]2[c:27]([F:33])[cH:28][c:29]([F:32])[cH:30][cH:31]2)[cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][cH:11][n:12][c:13]3[cH:14][c:15]([OH:21])[c:16]([O:19][CH3:20])[cH:17][c:18]23)[cH:7]1.[K+:38].[K+:39]>>[Cl:1][c:2]1[c:3]([NH:22][C:23](=[O:24])[NH:25][c:26]2[c:27]([F:33])[cH:28][c:29]([F:32])[cH:30][cH:31]2)[cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][cH:11][n:12][c:13]3[cH:14][c:15]([O:21][CH2:51][CH2:52][n:53]4[n:54][n:55][cH:56][cH:57]4)[c:16]([O:19][CH3:20])[cH:17][c:18]23)[cH:7]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 226671112-(1H-1,2,3-triazol-1-yl)ethyl 4-methyl-1-benzenesulfonateHCID 135674212N-{2-Chloro-4-[(7-hydroxy-6-methoxy-4-quinolyl)-oxy]phenyl}-N'-(2,4-difluorophenyl)urea

Product 1

HCID 69353355N-[2-Chloro-4-({6-methoxy-7-[2-(1H-1,2,3-triazol-1-yl)ethoxy]-4-quinolyl}oxy)phenyl]-N'-(2,4-difluorophenyl)urea

Sources & evidence

ORD record
ord-7040b0bb437d497b8827e4cdfbb8f3af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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