HRID300223

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID18523

Chloromethyl ethyl ether

C3H7ClO

结构：COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1

HCID89082

m-Nifedipine

C17H18N2O6

HCID166653

Hydride

H-

PRODUCTS

生成物

结构：CCOCN1C(C)=C(C(=O)OC)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C1C

HCID12602967

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45580b4dfd034a3185a02acb83012c34
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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