HRID1562972

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID674

Dimethylamine

C2H7N

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID31275

1,4-Dioxane

C4H8O2

结构：N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)(=O)C(F)(F)F

HCID3078139

Fipronil sulfone

C12H4Cl2F6N4O2S

PRODUCTS

生成物

结构：CN(C)c1cc(C(F)(F)F)cc(Cl)c1-n1nc(C#N)c(S(=O)(=O)C(F)(F)F)c1N

HCID11488037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df142f9ba2b7408590ced882d7b41e25
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:31]([O:32][CH2:33][CH3:34])(=[O:35])[CH3:36].[CH3:28][NH:29][CH3:30].[CH3:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43].[NH2:1][c:2]1[c:3]([S:21](=[O:22])(=[O:23])[C:24]([F:25])([F:26])[F:27])[c:4]([C:19]#[N:20])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[OH2:44]>>[NH2:1][c:2]1[c:3]([S:21](=[O:22])(=[O:23])[C:24]([F:25])([F:26])[F:27])[c:4]([C:19]#[N:20])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[N:29]([CH3:28])[CH3:30]