HRID1555628

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID2777338

4-(Trifluoromethoxy)phenyl isothiocyanate

C8H4F3NOS

结构：CN(C)CCN1C(=O)c2cccc3cc4cccc(N)c4c(c23)C1=O

HCID10065413

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCN1C(=O)c2cccc3cc4cccc(NC(=S)Nc5ccc(OC(F)(F)F)cc5)c4c(c23)C1=O

HCID16717990

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6c7c1b56f9342cf9714d45927c2e891
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:40][C:41]#[N:42].[F:26][C:27]([O:28][c:29]1[cH:30][cH:31][c:32]([N:35]=[C:36]=[S:37])[cH:33][cH:34]1)([F:38])[F:39].[NH2:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]3[c:9]4[c:10]([cH:23][cH:24][cH:25]3)[C:11](=[O:22])[N:12]([CH2:17][CH2:18][N:19]([CH3:20])[CH3:21])[C:13](=[O:16])[c:14]4[c:15]12>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]3[c:9]4[c:10]([cH:23][cH:24][cH:25]3)[C:11](=[O:22])[N:12]([CH2:17][CH2:18][N:19]([CH3:20])[CH3:21])[C:13](=[O:16])[c:14]4[c:15]12)[C:36]([NH:35][c:32]1[cH:31][cH:30][c:29]([O:28][C:27]([F:26])([F:38])[F:39])[cH:34][cH:33]1)=[S:37]