HRID212130

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

HCID219132

未命名化合物

HCID23159823

1,3-Dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene

C9H5Cl2F3

PRODUCTS

生成物

结构：O=[N+]([O-])c1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1

HCID59355610

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13078cd9bad044ac977a15ba4844859c
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

[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cl:13][N:14]1[C:15](=[O:16])[CH2:17][CH2:18][C:19]1=[O:20].[Cl:21][c:22]1[cH:23][c:24]([Cl:34])[cH:25][c:26]([C:28](=[CH2:29])[C:30]([F:31])([F:32])[F:33])[cH:27]1.[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH:7]=[N:8][OH:9])[cH:10][cH:11][cH:12]1.[OH2:53]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([C:7]2=[N:8][O:9][C:28]([c:26]3[cH:25][c:24]([Cl:34])[cH:23][c:22]([Cl:21])[cH:27]3)([C:30]([F:31])([F:32])[F:33])[CH2:29]2)[cH:10][cH:11][cH:12]1