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Hydrochloric Acid → 4-(3-Dimethylaminoazetidin-1-yl)piperidine-1-carboxylic acid [4-(2-fluoro-4-nitrophenoxy)pyridin-2-yl]amide

HRID 696568
Notes
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Reaction equation

HRID 696568 reaction equation
[CH3:32][N:33]([CH:34]1[CH2:35][N:36]([CH:38]2[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]2)[CH2:37]1)[CH3:44].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[Cl:19][C:20](=[O:21])[O:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[ClH:29].[ClH:30].[ClH:31].[F:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]([NH2:11])[n:8][cH:9][cH:10]2)[cH:12][cH:13][c:14]([N+:16](=[O:17])[O-:18])[cH:15]1.[Na+:46].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH-:45].[OH2:52]>>[F:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]([NH:11][C:20](=[O:21])[N:41]3[CH2:40][CH2:39][CH:38]([N:36]4[CH2:35][CH:34]([N:33]([CH3:32])[CH3:44])[CH2:37]4)[CH2:43][CH2:42]3)[n:8][cH:9][cH:10]2)[cH:12][cH:13][c:14]([N+:16](=[O:17])[O-:18])[cH:15]1
ParticipantsSources & evidenceReaction notes

Participants

11

Reactant 10

HCID 313Hydrochloric Acid3×HCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8471Triethylamine
HCID 15891
Phenyl chloroformate
HCID 231531982-Amino-4-(2-fluoro-4-nitrophenoxy)pyridine
HCID 23153405N,N-dimethyl-1-(4-piperidinyl)-3-azetidinamine

Product 1

HCID 576776984-(3-Dimethylaminoazetidin-1-yl)piperidine-1-carboxylic acid [4-(2-fluoro-4-nitrophenoxy)pyridin-2-yl]amide

Sources & evidence

ORD record
ord-d6562804b8f744e99cc23a90b87bc6fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes