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Acetic Acid → N-(4-Chloro-phenyl)-4-{3-[4-(3,3-dimethyl-butyl)-piperazin-1-yl]-propoxy}-3-fluoro-N-methyl-benzamide

HRID 818577
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인쇄 미리보기

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HRID 818577 반응식
[C:45]([BH3-:46])#[N:47].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:38][C:39]([CH2:40][CH:41]=[O:42])([CH3:43])[CH3:44].[CH3:49][OH:50].[CH3:51][C:52](=[O:53])[OH:54].[Cl:3][c:4]1[cH:5][cH:6][c:7]([N:10]([C:11]([c:12]2[cH:13][c:14]([F:28])[c:15]([O:18][CH2:19][CH2:20][CH2:21][N:22]3[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]3)[cH:16][cH:17]2)=[O:29])[CH3:30])[cH:8][cH:9]1.[ClH:1].[ClH:2].[Na+:48]>>[Cl:3][c:4]1[cH:5][cH:6][c:7]([N:10]([C:11]([c:12]2[cH:13][c:14]([F:28])[c:15]([O:18][CH2:19][CH2:20][CH2:21][N:22]3[CH2:23][CH2:24][N:25]([CH2:41][CH2:40][C:39]([CH3:38])([CH3:43])[CH3:44])[CH2:26][CH2:27]3)[cH:16][cH:17]2)=[O:29])[CH3:30])[cH:8][cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 176Acetic AcidHCID 313Hydrochloric Acid2회HCID 887MethanolHCID 923Sodium IonHCID 8471TriethylamineHCID 763353,3-DimethylbutanalHCID 498716Cyano-borohydride
HCID 57555270
N-(4-chlorophenyl)-3-fluoro-N-methyl-4-(3-piperazin-1-ylpropoxy)benzamide

생성물 1

HCID 57555354N-(4-Chloro-phenyl)-4-{3-[4-(3,3-dimethyl-butyl)-piperazin-1-yl]-propoxy}-3-fluoro-N-methyl-benzamide

출처 및 근거

ORD 기록
ord-f93b91942b9240baa27e887328fefc1a
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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