Hydroxide → 3-chloro-N2-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-N4-methyl-1H-pyrrole-2,4-dicarboxamide

HRID 665899Notes

Reaction equation

HRID 665899 reaction equation
[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[Cl:1][c:2]1[c:3]([C:11]([O:13][CH3:12])=[O:14])[nH:4][cH:5][c:6]1[C:7](=[O:8])[NH:9][CH3:10].[Li+:15].[NH2:50][CH2:51][c:52]1[c:53]([F:69])[c:54]([O:59][c:60]2[cH:61][c:62]([C:63]#[N:64])[cH:65][c:66]([Cl:68])[cH:67]2)[c:55]([Cl:58])[cH:56][cH:57]1.[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[OH-:16].[OH2:75].[P-:17]([F:18])([F:19])([F:20])([F:21])([F:22])[F:23].[n:24]1([O:25][C:26]([N:27]([CH3:28])[CH3:29])=[N+:30]([CH3:31])[CH3:32])[c:33]2[n:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[Cl:1][c:2]1[c:3]([C:11](=[O:13])[NH:50][CH2:51][c:52]2[c:53]([F:69])[c:54]([O:59][c:60]3[cH:61][c:62]([C:63]#[N:64])[cH:65][c:66]([Cl:68])[cH:67]3)[c:55]([Cl:58])[cH:56][cH:57]2)[nH:4][cH:5][c:6]1[C:7](=[O:8])[NH:9][CH3:10]

Participants

11

Reactant 10

HCID 961HydroxideHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 28486Lithium ionHCID 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 68485494methyl 3-chloro-4-[(methylamino)carbonyl]-1H-pyrrole-2-carboxylate

Product 1

HCID 594516133-chloro-N2-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-N4-methyl-1H-pyrrole-2,4-dicarboxamide

Sources & evidence

ORD record
ord-06cdf3608245435b854f5a93f9481af3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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