HRID168425

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

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：NC(=NO)c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)(=O)C(F)(F)F

HCID136364248

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b02d6ff3af94b238399dffb4f4d4329
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:40]1[O:41][CH2:42][CH2:43][O:44][CH2:45]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[Cl-:39].[ClH:28].[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].[NH2:29][OH:30].[Na+:38].[OH2:46]>>[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]([NH2:20])=[N:29][OH:30])[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]