Ammonium → N-(2-fluorocyclohexyl)-3,5-difluoro-4-(2-propynyloxy)benzamide

HRID 316430

Reaction equation

[CH3:2][CH2:3][CH2:4][CH2:5][N+:6]([CH2:7][CH2:8][CH2:9][CH3:10])([CH2:11][CH2:12][CH2:13][CH3:14])[CH2:15][CH2:16][CH2:17][CH3:18].[Cl-:40].[F-:1].[F:19][c:20]1[cH:21][c:22]([C:23](=[O:24])[N:25]2[CH:26]3[CH2:27][CH2:28][CH2:29][CH2:30][CH:31]23)[cH:32][c:33]([F:39])[c:34]1[O:35][CH2:36][C:37]#[CH:38].[NH4+:41].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1>>[F:1][CH:31]1[CH:26]([NH:25][C:23]([c:22]2[cH:21][c:20]([F:19])[c:34]([O:35][CH2:36][C:37]#[CH:38])[c:33]([F:39])[cH:32]2)=[O:24])[CH2:27][CH2:28][CH2:29][CH2:30]1

Participants

Reactant 6

HCID 223Ammonium

HCID 312Chloride

HCID 8028Tetrahydrofuran

HCID 16028Tetrabutylammonium

HCID 28179Fluoride Ion

HCID 577011787-[3,5-Difluoro-4-(2-propynyloxy)benzoyl]-7-azabicyclo[4.1.0]heptane

Product 1

HCID 57701160N-(2-fluorocyclohexyl)-3,5-difluoro-4-(2-propynyloxy)benzamide

Sources & evidence

ORD record: ord-a6f2a9e872c9452baf6e52b61334c2a1
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Linked notes

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