HRID90666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8900

Heptane

C7H16

HCID38284

3-Phenoxybenzaldehyde

C13H10O2

HCID70815

3-(Cyclohexylamino)-1-propanesulfonic acid

C9H19NO3S

HCID94551

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

C8H9Cl3O

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-e25c8e7825164e60af1bbb7a4327029c
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

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