Methanol → N-({4-Chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-5-isoxazolecarboxamide

HRID 210160Notes

Reaction equation

HRID 210160 reaction equation
[CH3:67][OH:68].[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[NH2:1][CH2:2][c:3]1[c:4]([F:20])[c:5]([O:10][c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][c:17]([Cl:19])[cH:18]2)[c:6]([Cl:9])[cH:7][cH:8]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1.[o:30]1[n:31][cH:32][cH:33][c:34]1[C:35](=[O:36])[OH:37]>>[NH:1]([CH2:2][c:3]1[c:4]([F:20])[c:5]([O:10][c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][c:17]([Cl:19])[cH:18]2)[c:6]([Cl:9])[cH:7][cH:8]1)[C:35]([c:34]1[o:30][n:31][cH:32][cH:33]1)=[O:36]

Participants

8

Reactant 7

HCID 887MethanolHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 20605991,2-Oxazole-5-carboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 594513923-{[3-(Aminomethyl)-6-chloro-2-fluorophenyl]oxy}-5-chlorobenzonitrile

Product 1

HCID 59451543N-({4-Chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-5-isoxazolecarboxamide

Sources & evidence

ORD record
ord-fdaefe346c1a4314b56c86a0ccb7d5a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…