Dimethylformamide → 3-Chloro-N-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-5-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide

HRID 88245Notes

Reaction equation

HRID 88245 reaction equation
[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[Cl:45][c:46]1[c:47]([C:54](=[O:55])[OH:56])[nH:48][c:49]([CH2:51][CH2:52][OH:53])[cH:50]1.[NH2:25][CH2:26][c:27]1[c:28]([F:44])[c:29]([O:34][c:35]2[cH:36][c:37]([C:38]#[N:39])[cH:40][c:41]([Cl:43])[cH:42]2)[c:30]([Cl:33])[cH:31][cH:32]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[NH:25]([CH2:26][c:27]1[c:28]([F:44])[c:29]([O:34][c:35]2[cH:36][c:37]([C:38]#[N:39])[cH:40][c:41]([Cl:43])[cH:42]2)[c:30]([Cl:33])[cH:31][cH:32]1)[C:54]([c:47]1[c:46]([Cl:45])[cH:50][c:49]([CH2:51][CH2:52][OH:53])[nH:48]1)=[O:55]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 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-chlorobenzonitrileHCID 684839683-chloro-5-(2-hydroxyethyl)-1H-pyrrole-2-carboxylic acid

Product 1

HCID 594514823-Chloro-N-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-5-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide

Sources & evidence

ORD record
ord-6945925f3f2e4973a7d2ebdf230d0d82
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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