HRID86649

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID23159823

1,3-Dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene

C9H5Cl2F3

HCID86658036

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)sc1C(=O)NCC(F)(F)F

HCID86658037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d44d3f8b7c8b49609938a79f92d29ce8
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

[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[CH3:39][CH2:40][O:41][CH2:42][CH3:43].[Cl:20][c:21]1[cH:22][c:23]([Cl:33])[cH:24][c:25]([C:27](=[CH2:28])[C:29]([F:30])([F:31])[F:32])[cH:26]1.[F:3][C:4]([CH2:5][NH:6][C:7](=[O:8])[c:9]1[s:10][c:11]([CH:15]=[N:16][OH:17])[cH:12][c:13]1[CH3:14])([F:18])[F:19].[Na+:2].[OH-:1]>>[F:3][C:4]([CH2:5][NH:6][C:7](=[O:8])[c:9]1[s:10][c:11]([C:15]2=[N:16][O:17][C:27]([c:25]3[cH:24][c:23]([Cl:33])[cH:22][c:21]([Cl:20])[cH:26]3)([C:29]([F:30])([F:31])[F:32])[CH2:28]2)[cH:12][c:13]1[CH3:14])([F:18])[F:19]