HRID666406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6327

Chloromethane

CH3Cl

HCID6344

Dichloromethane

CH2Cl2

HCID93218

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

C14H11NO2

HCID13118567

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1

HCID50980

Flucythrinate

C26H23F2NO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-435aeb24752c48028a8e68c660c6a693
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:20](#[N:21])[CH:22]([c:23]1[cH:24][c:25]([O:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:26][cH:27][cH:28]1)[OH:36].[CH2:43]([Cl:44])[Cl:45].[CH3:18][Cl:19].[CH:1]([CH3:2])([CH3:3])[CH:4]([C:5](=[O:6])[Cl:7])[c:8]1[cH:9][cH:10][c:11]([O:14][CH:15]([F:16])[F:17])[cH:12][cH:13]1.[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1>>[CH:1]([CH3:2])([CH3:3])[CH:4]([C:5](=[O:6])[O:36][CH:22]([C:20]#[N:21])[c:23]1[cH:24][c:25]([O:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:26][cH:27][cH:28]1)[c:8]1[cH:9][cH:10][c:11]([O:14][CH:15]([F:16])[F:17])[cH:12][cH:13]1