Dimethylformamide → 3-Chloro-N2-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-N5-(2-hydroxyethyl)-1H-pyrrole-2,5-dicarboxamide

HRID 315142Notes

Reaction equation

HRID 315142 reaction equation
[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[Cl:25][c:26]1[c:27]([C:37](=[O:38])[OH:39])[nH:28][c:29]([C:31](=[O:32])[NH:33][CH2:34][CH2:35][OH:36])[cH:30]1.[NH2:40][CH2:41][c:42]1[c:43]([F:59])[c:44]([O:49][c:50]2[cH:51][c:52]([C:53]#[N:54])[cH:55][c:56]([Cl:58])[cH:57]2)[c:45]([Cl:48])[cH:46][cH:47]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[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>>[Cl:25][c:26]1[c:27]([C:37](=[O:39])[NH:40][CH2:41][c:42]2[c:43]([F:59])[c:44]([O:49][c:50]3[cH:51][c:52]([C:53]#[N:54])[cH:55][c:56]([Cl:58])[cH:57]3)[c:45]([Cl:48])[cH:46][cH:47]2)[nH:28][c:29]([C:31](=[O:32])[NH:33][CH2:34][CH2:35][OH:36])[cH:30]1

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 684835273-Chloro-5-{[(2-hydroxyethyl)amino]carbonyl}-1H-pyrrole-2-carboxylic acid

Product 1

HCID 594515883-Chloro-N2-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-N5-(2-hydroxyethyl)-1H-pyrrole-2,5-dicarboxamide

Sources & evidence

ORD record
ord-47da251560dc4600849ca793bace968c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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