HRID1215166

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID11615540

4-Isothiocyanato-2-(trifluoromethyl)benzonitrile

C9H3F3N2S

HCID59839099

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=N)C23CCCCC3)cc1

HCID86609854

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a5a7d73426746fba934a82a06560e5d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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