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

HRID 2323157Notes

Reaction equation

HRID 2323157 reaction equation
[C:71](=[O:72])([OH:73])[O-:74].[CH2:76]1[O:77][CH2:78][CH2:79][CH2:80]1.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:1][c:2]1[c:3]([C:12]([O:14][CH3:13])=[O:15])[nH:4][cH:5][c:6]1[C:7](=[O:8])[N:9]([CH3:10])[CH3:11].[Li+:16].[NH2:51][CH2:52][c:53]1[c:54]([F:70])[c:55]([O:60][c:61]2[cH:62][c:63]([C:64]#[N:65])[cH:66][c:67]([Cl:69])[cH:68]2)[c:56]([Cl:59])[cH:57][cH:58]1.[Na+:75].[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[OH-:17].[OH2:81].[P-:18]([F:19])([F:20])([F:21])([F:22])([F:23])[F:24].[n:25]1([O:26][C:27]([N:28]([CH3:29])[CH3:30])=[N+:31]([CH3:32])[CH3:33])[c:34]2[n:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[Cl:1][c:2]1[c:3]([C:12](=[O:14])[NH:51][CH2:52][c:53]2[c:54]([F:70])[c:55]([O:60][c:61]3[cH:62][c:63]([C:64]#[N:65])[cH:66][c:67]([Cl:69])[cH:68]3)[c:56]([Cl:59])[cH:57][cH:58]2)[nH:4][cH:5][c:6]1[C:7](=[O:8])[N:9]([CH3:10])[CH3:11]

Participants

13

Reactant 12

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 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 68487372methyl 3-chloro-4-[(dimethylamino)carbonyl]-1H-pyrrole-2-carboxylate

Product 1

HCID 594516273-chloro-N2-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-N4,N4-dimethyl-1H-pyrrole-2,4-dicarboxamide

Sources & evidence

ORD record
ord-f70e1a0e4cf74c3ab99df1c4ed6f2805
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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