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Ethylene Glycol → 5-Chloro-N-((1-(4-(4-methyl-1,4-diazepan-1-yl)phenyl)-1H-pyrazol-4-yl)methyl)thiophene-2-carboxamide

HRID 108990
Notes
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Reaction equation

HRID 108990 reaction equation
[CH3:23][N:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29][CH2:30]1.[CH:43]([OH:44])([CH3:45])[CH3:46].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[cH:12][n:13][n:14](-[c:16]3[cH:17][cH:18][c:19]([I:22])[cH:20][cH:21]3)[cH:15]2)[s:6]1.[Cu:47][I:48].[K+:40].[K+:41].[K+:42].[OH:31][CH2:32][CH2:33][OH:34].[P:35]([O-:36])([O-:37])([O-:38])=[O:39]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[cH:12][n:13][n:14](-[c:16]3[cH:17][cH:18][c:19]([N:27]4[CH2:26][CH2:25][N:24]([CH3:23])[CH2:30][CH2:29][CH2:28]4)[cH:20][cH:21]3)[cH:15]2)[s:6]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 174Ethylene GlycolHCID 813Potassium Cation3×HCID 1061PhosphateHCID 3776IsopropanolHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 2283491-Methylhomopiperazine
HCID 68510993
5-chloro-N-((1-(4-iodophenyl)-1H-pyrazol-4-yl)methyl)thiophene-2-carboxamide

Product 1

HCID 592600965-Chloro-N-((1-(4-(4-methyl-1,4-diazepan-1-yl)phenyl)-1H-pyrazol-4-yl)methyl)thiophene-2-carboxamide

Sources & evidence

ORD record
ord-58062ec597ee46c4aaeb6e1529b01c36
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes