HRID108357

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8900

Heptane

C7H16

HCID38284

3-Phenoxybenzaldehyde

C13H10O2

HCID94551

Cyclopropanecarbonyl chloride, 3-(2,2-dichloroethenyl)-2,2-dimethyl-

C8H9Cl3O

HCID86738320

未命名化合物

HCID178511850

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1

HCID2912

Cypermethrin

C22H19Cl2NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-880ce85b5dc34f1295584d22ef1922e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:4]([CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][NH:11][CH2:12][CH2:13][CH2:14][S:15]([OH:16])(=[O:17])=[O:18])#[N:19].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[Cl:20][C:21](=[CH:22][CH:23]1[C:24]([CH3:29])([CH3:30])[CH:25]1[C:26](=[O:27])[Cl:28])[Cl:31].[Na:1][C:2]#[N:3].[O:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[c:39]1[cH:40][c:41]([CH:42]=[O:43])[cH:44][cH:45][cH:46]1.[OH2:47]>>[C:2](#[N:3])[CH:42]([c:41]1[cH:40][c:39]([O:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:46][cH:45][cH:44]1)[O:43][C:26]([CH:25]1[CH:23]([CH:22]=[C:21]([Cl:20])[Cl:31])[C:24]1([CH3:29])[CH3:30])=[O:27]