HRID203433

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7412

Benzoyl chloride

C7H5ClO

HCID8857

Ethyl acetate

C4H8O2

结构：NCC(C(O)c1ccc([N+](=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1

HCID22449945

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(C(O)c1ccc([N+](=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1)c1ccccc1

HCID22449942

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-492f50a0d60a407eadc12474ef079ca5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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