Hydrochloric Acid → 3-((4-(4-amino-3-fluorobenzoyl)piperazin-1-yl)methyl)-N-tert-butylbenzamide

HRID 944994

Reaction equation

HRID 944994 reaction equation
[C:12]([CH3:13])([CH3:14])([CH3:15])[NH:16][C:17]([c:18]1[cH:19][c:20]([CH2:24][N:25]2[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]2)[cH:21][cH:22][cH:23]1)=[O:31].[CH3:33][N:34]([CH3:35])[CH2:36][CH2:37][CH2:38][N:39]=[C:40]=[N:41][CH2:42][CH3:43].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][C:52]#[N:53].[ClH:32].[NH2:1][c:2]1[c:3]([F:11])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1>>[NH2:1][c:2]1[c:3]([F:11])[cH:4][c:5]([C:6](=[O:8])[N:28]2[CH2:27][CH2:26][N:25]([CH2:24][c:20]3[cH:19][c:18]([C:17]([NH:16][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:31])[cH:23][cH:22][cH:21]3)[CH2:30][CH2:29]2)[cH:9][cH:10]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 8471TriethylamineHCID 99714-Amino-3-fluorobenzoic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 66877987N-tert-butyl-3-(piperazin-1-ylmethyl)benzamide

Product 1

HCID 668785283-((4-(4-amino-3-fluorobenzoyl)piperazin-1-yl)methyl)-N-tert-butylbenzamide

Sources & evidence

ORD record
ord-18f5463a05a749b097dc296dc574b2bc
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Linked notes

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