Chloride → N-[2-(4-fluorophenyl)-4-[3-(4-fluoropiperidin-1-yl)azetidin-1-yl]butyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide

HRID 804086Notes

Reaction equation

HRID 804086 reaction equation
[C:51]([BH3-:52])#[N:53].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:55][OH:56].[Cl-:57].[Cl-:59].[ClH:31].[ClH:32].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][N:10]([C:11]([c:12]2[cH:13][c:14]([C:22]([F:23])([F:24])[F:25])[cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]2)=[O:26])[CH3:27])[CH2:28][CH:29]=[O:30])[cH:6][cH:7]1.[NH:33]1[CH2:34][CH:35]([N:37]2[CH2:38][CH2:39][CH:40]([F:43])[CH2:41][CH2:42]2)[CH2:36]1.[Na+:54].[Zn+2:58]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][N:10]([C:11]([c:12]2[cH:13][c:14]([C:22]([F:23])([F:24])[F:25])[cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]2)=[O:26])[CH3:27])[CH2:28][CH2:29][N:33]2[CH2:34][CH:35]([N:37]3[CH2:38][CH2:39][CH:40]([F:43])[CH2:41][CH2:42]3)[CH2:36]2)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 312Chloride2×HCID 313Hydrochloric Acid2×HCID 887MethanolHCID 923Sodium ionHCID 8471TriethylamineHCID 32051Zinc(2+)HCID 498716Cyano-borohydrideHCID 110948981-(Azetidin-3-yl)-4-fluoropiperidineHCID 178483575HCID 178483575, compound

Product 1

HCID 44216130N-[2-(4-fluorophenyl)-4-[3-(4-fluoropiperidin-1-yl)azetidin-1-yl]butyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide

Sources & evidence

ORD record
ord-ab5133138f874b739e6ead6febe9bff5
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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