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Hydrochloric Acid → 4-[2-(Azetidin-1-yl)ethyl]piperazine-1-carboxylic acid [4-(2-fluoro-4-nitrophenoxy)pyridin-2-yl]amide

HRID 1550613
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HRID 1550613 반응식
[CH3:49][OH:50].[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[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.[N:32]1([CH2:36][CH2:37][N:38]2[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]2)[CH2:33][CH2:34][CH2:35]1.[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[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][N:38]([CH2:37][CH2:36][N:32]4[CH2:33][CH2:34][CH2:35]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
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric Acid3회HCID 887MethanolHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 15891Phenyl chloroformateHCID 231529981-[2-(Azetidin-1-yl)ethyl]piperazineHCID 231531982-Amino-4-(2-fluoro-4-nitrophenoxy)pyridine

생성물

1
HCID 576773874-[2-(Azetidin-1-yl)ethyl]piperazine-1-carboxylic acid [4-(2-fluoro-4-nitrophenoxy)pyridin-2-yl]amide

출처 및 근거

ORD 기록
ord-8092783ad98c4e729785097f34aae9f5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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