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

HRID 1128463Notes

Reaction equation

HRID 1128463 reaction equation
[CH2:72]1[O:73][CH2:74][CH2:75][CH2:76]1.[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cl:1][c:2]1[c:3]([C:13]([O:15][CH3:14])=[O:16])[nH:4][cH:5][c:6]1[C:7](=[O:8])[NH:9][CH2:10][CH2:11][OH:12].[Li+:17].[NH2:52][CH2:53][c:54]1[c:55]([F:71])[c:56]([O:61][c:62]2[cH:63][c:64]([C:65]#[N:66])[cH:67][c:68]([Cl:70])[cH:69]2)[c:57]([Cl:60])[cH:58][cH:59]1.[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[OH-:18].[OH2:77].[P-:19]([F:20])([F:21])([F:22])([F:23])([F:24])[F:25].[n:26]1([O:27][C:28]([N:29]([CH3:30])[CH3:31])=[N+:32]([CH3:33])[CH3:34])[c:35]2[n:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[Cl:1][c:2]1[c:3]([C:13](=[O:15])[NH:52][CH2:53][c:54]2[c:55]([F:71])[c:56]([O:61][c:62]3[cH:63][c:64]([C:65]#[N:66])[cH:67][c:68]([Cl:70])[cH:69]3)[c:57]([Cl:60])[cH:58][cH:59]2)[nH:4][cH:5][c:6]1[C:7](=[O:8])[NH:9][CH2:10][CH2:11][OH:12]

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 68487062methyl 3-chloro-4-{[(2-hydroxyethyl)amino]carbonyl}-1H-pyrrole-2-carboxylate

Product 1

HCID 594514363-chloro-N2-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-N4-(2-hydroxyethyl)-1H-pyrrole-2,4-dicarboxamide

Sources & evidence

ORD record
ord-0ec8c315248f427fa94e18a7d851e2f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…