HRID321561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID75449

Isothiocyanic acid, 3-chlorophenyl ester

C7H4ClNS

结构：NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1

HCID66934553

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1cccc(C(Cc2ccccc2)(NC(=S)Nc2cccc(Cl)c2)c2ccccn2)c1

HCID58920274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33cf17ce2a4647fab1473cd0907afd7f
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

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