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Hydrochloric Acid → N-{4-[(4-butylphenyl)ethynyl]benzyl}-N-(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-6-yl)hexanamide

HRID 1120738
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인쇄 미리보기

반응식

HRID 1120738 반응식
[C:35]([CH2:36][CH2:37][CH2:38][CH2:39][CH3:40])(=[O:41])[Cl:42].[CH2:2]([CH2:3][CH2:4][CH3:5])[c:6]1[cH:7][cH:8][c:9]([C:12]#[C:13][c:14]2[cH:15][cH:16][c:17]([CH2:18][NH:19][c:20]3[cH:21][c:22]4[c:23]([cH:31][cH:32]3)[O:24][C:25]([CH3:29])([CH3:30])[O:26][C:27]4=[O:28])[cH:33][cH:34]2)[cH:10][cH:11]1.[ClH:1]>>[CH2:2]([CH2:3][CH2:4][CH3:5])[c:6]1[cH:7][cH:8][c:9]([C:12]#[C:13][c:14]2[cH:15][cH:16][c:17]([CH2:18][N:19]([c:20]3[cH:21][c:22]4[c:23]([cH:31][cH:32]3)[O:24][C:25]([CH3:29])([CH3:30])[O:26][C:27]4=[O:28])[C:35]([CH2:36][CH2:37][CH2:38][CH2:39][CH3:40])=[O:41])[cH:33][cH:34]2)[cH:10][cH:11]1
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 313Hydrochloric AcidHCID 67340Hexanoyl chlorideHCID 114761686-({4-[(4-butylphenyl)ethynyl]benzyl}amino)-2,2-dimethyl-4H-1,3-benzodioxin-4-one

생성물 1

HCID 57841391N-{4-[(4-butylphenyl)ethynyl]benzyl}-N-(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-6-yl)hexanamide

출처 및 근거

ORD 기록
ord-882194c6af654d668426911384dd720e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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