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

HRID 106193Notes

Reaction equation

HRID 106193 reaction equation
[CH2:78]1[O:79][CH2:80][CH2:81][CH2:82]1.[CH3:88][OH:89].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:1][c:2]1[c:3]([C:17]([O:19][CH3:18])=[O:20])[nH:4][c:5]([C:7](=[O:8])[NH:9][CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:6]1.[K+:22].[Li+:24].[NH2:25][CH2:26][c:27]1[c:28]([F:44])[c:29]([O:34][c:35]2[cH:36][c:37]([C:38]#[N:39])[cH:40][c:41]([Cl:43])[cH:42]2)[c:30]([Cl:33])[cH:31][cH:32]1.[O:83]=[CH:84][N:85]([CH3:86])[CH3:87].[OH-:21].[OH-:23].[P-:54]([F:55])([F:56])([F:57])([F:58])([F:59])[F:60].[n:61]1([O:62][C:63]([N:64]([CH3:65])[CH3:66])=[N+:67]([CH3:68])[CH3:69])[c:70]2[n:71][cH:72][cH:73][cH:74][c:75]2[n:76][n:77]1>>[Cl:1][c:2]1[c:3]([C:17](=[O:19])[NH:25][CH2:26][c:27]2[c:28]([F:44])[c:29]([O:34][c:35]3[cH:36][c:37]([C:38]#[N:39])[cH:40][c:41]([Cl:43])[cH:42]3)[c:30]([Cl:33])[cH:31][cH:32]2)[nH:4][c:5]([C:7](=[O:8])[NH:9][CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:6]1

Participants

12

Reactant 11

HCID 813Potassium CationHCID 887MethanolHCID 961Hydroxide2×HCID 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 68480534Methyl 3-chloro-5-({[2-(1-pyrrolidinyl)ethyl]amino}carbonyl)-1H-pyrrole-2-carboxylate

Product 1

HCID 594515473-Chloro-N2-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-N5-[2-(1-pyrrolidinyl)ethyl]-1H-pyrrole-2,5-dicarboxamide

Sources & evidence

ORD record
ord-655df731489544d0bd398a59a9b58746
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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