HRID2122546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID18523

Chloromethyl ethyl ether

C3H7ClO

HCID166653

Hydride

H-

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

HCID22158922

未命名化合物

PRODUCTS

生成物

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

HCID53690215

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c1666b7bd8b4d148c3747129e9f42b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:30]([CH3:31])[O:32][CH2:33][Cl:34].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:3][C:4]1=[C:9]([C:10](=[O:11])[O:12][CH3:13])[CH:8]([c:14]2[cH:15][c:16]([N+:20](=[O:21])[O-:22])[cH:17][cH:18][cH:19]2)[C:7]([C:23](=[O:24])[O:25][CH2:26][CH2:27][Br:28])=[C:6]([CH3:29])[NH:5]1.[H-:1].[Na+:2].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH2:47]>>[CH3:3][C:4]1=[C:9]([C:10](=[O:11])[O:12][CH3:13])[CH:8]([c:14]2[cH:15][c:16]([N+:20](=[O:21])[O-:22])[cH:17][cH:18][cH:19]2)[C:7]([C:23](=[O:24])[O:25][CH2:26][CH2:27][Br:28])=[C:6]([CH3:29])[N:5]1[CH2:33][O:32][CH2:30][CH3:31]