Acetic Acid → [2-(3,4-Dihydro-1H-isoquinolin-2-yl)ethyl]-(7-nitro-1,2,3,4-tetrahydro-naphthalen-1-yl)amine

반응식

[CH2:1]1[N:2]([CH2:11][CH2:12][N:13]=[C:14]2[CH2:15][CH2:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][c:23]32)[CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21.[CH3:27][C:28](=[O:29])[OH:30].[Cl:31][CH:32]([Cl:33])[CH3:34]>>[CH2:1]1[N:2]([CH2:11][CH2:12][NH:13][CH:14]2[CH2:15][CH2:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][c:23]32)[CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 63651,1-Dichloroethane

HCID 58958206[2-(3,4-Dihydro-1H-isoquinolin-2-yl)ethyl]-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amine

생성물 1

HCID 58958235[2-(3,4-Dihydro-1H-isoquinolin-2-yl)ethyl]-(7-nitro-1,2,3,4-tetrahydro-naphthalen-1-yl)amine

출처 및 근거

ORD 기록: ord-69d89fad4cdb4473b4a11b63b32d7217
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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