HRID1210267

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID59164594

未命名化合物

PRODUCTS

生成物

结构：CCCCN(CCc1ccc(C(=N)NO)cc1)c1nc2ccccc2o1

HCID178449016

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9fcc712cae374bb085e7df88408ba454
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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