HRID1216926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID10757

2-Chloroacetophenone

C8H7ClO

结构：O=C(OC1CN2CCC1CC2)C(Nc1ccccc1)c1ccccc1

HCID59401215

未命名化合物

PRODUCTS

生成物

HCID312

Chloride

Cl-

结构：O=C(C[N+]12CCC(CC1)C(OC(=O)C(Nc1ccccc1)c1ccccc1)C2)c1ccccc1

HCID59401200

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-248113484c3343e390f48177a51ea3cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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