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

HRID 113804
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인쇄 미리보기

반응식

HRID 113804 반응식
[CH2:1]1[N:2]([CH2:11][CH2:12][NH2:13])[CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21.[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[F:28][C:29]([F:30])([F:31])[C:32]([OH:33])=[O:34].[N+:14](=[O:15])([O-:16])[c:17]1[cH:18][cH:19][c:20]2[c:25]([cH:26]1)[C:24](=[O:27])[CH2:23][CH2:22][CH2:21]2>>[CH2:1]1[N:2]([CH2:11][CH2:12][N:13]=[C:24]2[CH2:23][CH2:22][CH2:21][c:20]3[cH:19][cH:18][c:17]([N+:14](=[O:15])[O-:16])[cH:26][c:25]32)[CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21
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반응물 5

HCID 1140TolueneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 384457-Nitro-1-tetraloneHCID 407422-(1,2,3,4-Tetrahydroisoquinolin-2-yl)ethan-1-amine

생성물 1

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

출처 및 근거

ORD 기록
ord-7c6ed3ba6baa45edb7bd042c827fbfa1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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