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Potassium Cation → 6-[4-Chloro-1-[2-[4-(4-chloro-3-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylpyrazol-3-yl]pyridine-2-carbonitrile

HRID 1139094
Notes
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Reaction equation

HRID 1139094 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[Cl:16][CH2:17][C:18](=[O:19])[N:20]1[CH2:21][CH2:22][N:23]([c:26]2[cH:27][c:28]([O:33][CH2:34][CH3:35])[c:29]([Cl:32])[cH:30][cH:31]2)[CH2:24][CH2:25]1.[Cl:1][c:2]1[c:3](-[c:8]2[n:9][c:10]([C:14]#[N:15])[cH:11][cH:12][cH:13]2)[n:4][nH:5][c:6]1[CH3:7].[K+:40].[K+:41]>>[Cl:1][c:2]1[c:3](-[c:8]2[n:9][c:10]([C:14]#[N:15])[cH:11][cH:12][cH:13]2)[n:4][n:5]([CH2:17][C:18](=[O:19])[N:20]2[CH2:21][CH2:22][N:23]([c:26]3[cH:27][c:28]([O:33][CH2:34][CH3:35])[c:29]([Cl:32])[cH:30][cH:31]3)[CH2:24][CH2:25]2)[c:6]1[CH3:7]
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 578401826-(4-chloro-5-methyl-1H-pyrazol-3-yl)pyridine-2-carbonitrileHCID 578406012-Chloro-1-[4-(4-chloro-3-ethoxyphenyl)piperazin-1-yl]ethanone

Product 1

HCID 60052365
6-[4-Chloro-1-[2-[4-(4-chloro-3-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylpyrazol-3-yl]pyridine-2-carbonitrile

Sources & evidence

ORD record
ord-b14f7b81e377497185dae03df4668271
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes