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

HRID 2336154Notes

Reaction equation

HRID 2336154 reaction equation
[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[CH:16]([N:17]([CH2:18][CH3:19])[CH:20]([CH3:21])[CH3:22])([CH3:23])[CH3:24].[Li+:14].[NH2:1][C:2](=[O:3])[c:4]1[c:5]([Cl:13])[c:6]([C:9]([O:11][CH3:10])=[O:12])[nH:7][cH:8]1.[NH2:49][CH2:50][c:51]1[c:52]([F:68])[c:53]([O:58][c:59]2[cH:60][c:61]([C:62]#[N:63])[cH:64][c:65]([Cl:67])[cH:66]2)[c:54]([Cl:57])[cH:55][cH:56]1.[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH-:15].[OH2:74].[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[NH2:1][C:2](=[O:3])[c:4]1[c:5]([Cl:13])[c:6]([C:9](=[O:11])[NH:49][CH2:50][c:51]2[c:52]([F:68])[c:53]([O:58][c:59]3[cH:60][c:61]([C:62]#[N:63])[cH:64][c:65]([Cl:67])[cH:66]3)[c:54]([Cl:57])[cH:55][cH:56]2)[nH:7][cH:8]1

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 68487265methyl 4-(aminocarbonyl)-3-chloro-1H-pyrrole-2-carboxylate

Product 1

HCID 594514093-chloro-N2-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-1H-pyrrole-2,4-dicarboxamide

Sources & evidence

ORD record
ord-f5074251bca148deab4e40cb4853c67d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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