HRID2342060

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID787

Hydroxylamine

H3NO

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID3826051

未命名化合物

结构：CCCC(C#N)Oc1ccccc1COc1ccc2oc(-c3nc(C(C)(C)C)cs3)cc2c1

HCID19603765

未命名化合物

PRODUCTS

生成物

结构：CCCC(Oc1ccccc1COc1ccc2oc(-c3nc(C(C)(C)C)cs3)cc2c1)C(N)=NO

HCID86754882

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c99d8bc19004dc8b0a006d51bd90a73
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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