HRID316953

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID27099

Copper(2+)

Cu+2

HCID28123

Tetrahydroborate

H4B-

结构：C=C(C)COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)c1

HCID66918925

未命名化合物

PRODUCTS

生成物

结构：C=C(C)COc1ccc(N)c(C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)c1

HCID66918937

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-593b9b4bd84f4f499482e253e8e647f7
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

[BH4-:31].[C:42]([O-:43])(=[O:44])[CH3:45].[C:47]([O-:48])(=[O:49])[CH3:50].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[CH3:39][OH:40].[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH3:30])[c:11]([NH:13][C:14]([c:15]3[c:16]([N+:26]([O-:27])=[O:28])[cH:17][cH:18][c:19]([O:21][CH2:22][C:23](=[CH2:24])[CH3:25])[cH:20]3)=[O:29])[cH:12]2)[CH2:2][CH2:3]1.[Cu+2:46].[Na+:32].[OH2:41]>>[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH3:30])[c:11]([NH:13][C:14]([c:15]3[c:16]([NH2:26])[cH:17][cH:18][c:19]([O:21][CH2:22][C:23](=[CH2:24])[CH3:25])[cH:20]3)=[O:29])[cH:12]2)[CH2:2][CH2:3]1