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Ethanol → 6-(2-Chlorophenyl)-5-(4-chlorophenyl)-2-[(3,4-difluorobenzyl)oxy]nicotinamide

HRID 147215
Notes
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Reaction equation

HRID 147215 reaction equation
[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[CH3:45][CH2:46][OH:47].[Cl:1][c:2]1[c:3](-[c:8]2[n:9][c:10]([O:23][CH2:24][c:25]3[cH:26][c:27]([F:32])[c:28]([F:31])[cH:29][cH:30]3)[c:11]([C:12]#[N:13])[cH:14][c:15]2-[c:16]2[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]2)[cH:4][cH:5][cH:6][cH:7]1.[F:33][C:34]([F:35])([F:37])[C:38](=[O:36])[OH:39].[K+:41].[OH-:40].[OH2:44].[OH:42][OH:43]>>[Cl:1][c:2]1[c:3](-[c:8]2[n:9][c:10]([O:23][CH2:24][c:25]3[cH:26][c:27]([F:32])[c:28]([F:31])[cH:29][cH:30]3)[c:11]([C:12]([NH2:13])=[O:36])[cH:14][c:15]2-[c:16]2[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]2)[cH:4][cH:5][cH:6][cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 702EthanolHCID 784Hydrogen PeroxideHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 6422Trifluoroacetic acidHCID 312751,4-Dioxane
HCID 44390485
2-(3,4-Difluorobenzyloxy)-6-(2-chlorophenyl)-5-(4-chlorophenyl)nicotinonitrile

Product 1

HCID 589615746-(2-Chlorophenyl)-5-(4-chlorophenyl)-2-[(3,4-difluorobenzyl)oxy]nicotinamide

Sources & evidence

ORD record
ord-14ffac98da994dddb28c6f8c3c05fe5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes