HRID284620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID31214

Ethyl orthoformate

C7H16O3

结构：N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1SC(F)(F)F

HCID9953940

Fipronil sulfide

C12H4Cl2F6N4S

PRODUCTS

生成物

结构：CCOC=Nc1c(SC(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

HCID54093093

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f58f8ac69c6a4da490601309ff1d01fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH:26]([O:27][CH2:28][CH3:29])([O:30][CH2:31][CH3:32])[O:33][CH2:34][CH3:35].[NH2:1][c:2]1[c:3]([S:21][C:22]([F:23])([F:24])[F:25])[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].[c:36]1([CH3:37])[cH:38][cH:39][c:40]([S:41]([OH:42])(=[O:43])=[O:44])[cH:45][cH:46]1>>[N:1]([c:2]1[c:3]([S:21][C:22]([F:23])([F:24])[F:25])[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])=[CH:26][O:27][CH2:28][CH3:29]