HRID113804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6422

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID38445

1(2H)-Naphthalenone, 3,4-dihydro-7-nitro-

C10H9NO3

HCID40742

2(1H)-Isoquinolineethylamine, 3,4-dihydro-

C11H16N2

PRODUCTS

生成物

结构：O=[N+]([O-])c1ccc2c(c1)C(=NCCN1CCc3ccccc3C1)CCC2

HCID58958206

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c6ed3ba6baa45edb7bd042c827fbfa1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[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