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Acetone → 1-(4-methoxyphenyl)-4-[4-(1H-pyrazol-1-yl)phenyl]piperazine

HRID 1550685
Notes
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Reaction equation

HRID 1550685 reaction equation
[C:30](=[O:31])([O-:32])[OH:33].[CH2:35]([OH:36])[CH2:37][CH2:38][CH3:39].[CH3:41][C:42](=[O:43])[CH3:44].[Cl:1][CH2:2][CH2:3][N:4]([c:5]1[cH:6][cH:7][c:8]([O:11][CH3:12])[cH:9][cH:10]1)[CH2:13][CH2:14][Cl:15].[I-:29].[K+:28].[Na+:34].[OH2:40].[n:16]1(-[c:21]2[cH:22][cH:23][c:24]([NH2:27])[cH:25][cH:26]2)[n:17][cH:18][cH:19][cH:20]1>>[CH2:2]1[CH2:3][N:4]([c:5]2[cH:6][cH:7][c:8]([O:11][CH3:12])[cH:9][cH:10]2)[CH2:13][CH2:14][N:27]1[c:24]1[cH:23][cH:22][c:21](-[n:16]2[n:17][cH:18][cH:19][cH:20]2)[cH:26][cH:25]1
ParticipantsSources & evidenceReaction notes

Participants

10

Reactant 9

HCID 180AcetoneHCID 2631-ButanolHCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium IonHCID 962WaterHCID 15064N,N-Bis(2-chloroethyl)-4-methoxybenzenamine
HCID 30165
Iodide Ion
HCID 5942744-(1H-Pyrazol-1-yl)aniline

Product 1

HCID 128770311-(4-methoxyphenyl)-4-[4-(1H-pyrazol-1-yl)phenyl]piperazine

Sources & evidence

ORD record
ord-89d28a639417463eb6b525582cbef41c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes