HRID1566152

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(NC1CN2CCC1CC2)OC(c1cccc(F)c1)c1cccc(F)c1

HCID70925809

未命名化合物

PRODUCTS

生成物

HCID312

Chloride

Cl-

结构：O=C(NC1C[N+]2(CC(=O)c3ccccc3)CCC1CC2)OC(c1cccc(F)c1)c1cccc(F)c1

HCID89106402

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e397326dc09427a9bede25f1cba2240
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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