HRID689689

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID93218

2-Hydroxy-2-(3-phenoxyphenyl)acetonitrile

C14H11NO2

HCID3947643

2‐{[2‐Chloro‐4‐(trifluoromethyl)phenyl]amino}‐3‐ methylbutanoic acid

C12H13ClF3NO2

PRODUCTS

生成物

结构：CC(C)C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1

HCID50516

Fluvalinate

C26H22ClF3N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05cd8c338bb34d1687b8145e590d595f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:23](#[N:24])[CH:25]([c:26]1[cH:27][c:28]([O:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:29][cH:30][cH:31]1)[OH:39].[CH2:1]([Cl:2])[Cl:3].[CH3:55][N:56]([CH3:57])[c:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1.[CH:40]1([N:41]=[C:42]=[N:43][CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]1.[Cl:4][c:5]1[c:6]([NH:15][CH:16]([C:17](=[O:18])[OH:19])[CH:20]([CH3:21])[CH3:22])[cH:7][cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1.[Cl:64][CH:65]([Cl:66])[Cl:67]>>[Cl:4][c:5]1[c:6]([NH:15][CH:16]([C:17](=[O:18])[O:19][CH:25]([C:23]#[N:24])[c:26]2[cH:27][c:28]([O:32][c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:29][cH:30][cH:31]2)[CH:20]([CH3:21])[CH3:22])[cH:7][cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1