HRID2132052

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6341

Ethanamine

C2H7N

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

结构：CC1=C(C#N)C(c2ccc(C#N)cc2)n2nc(S(=O)(=O)Cl)nc2N1c1cccc(C(F)(F)F)c1

HCID90953343

未命名化合物

PRODUCTS

生成物

结构：CCNS(=O)(=O)c1nc2n(n1)C(c1ccc(C#N)cc1)C(C#N)=C(C)N2c1cccc(C(F)(F)F)c1

HCID77155349

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89d59b0744514c8e85c675de00f39547
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1](#[N:2])[C:3]1=[C:4]([CH3:34])[N:5]([c:24]2[cH:25][c:26]([C:30]([F:31])([F:32])[F:33])[cH:27][cH:28][cH:29]2)[c:6]2[n:7]([n:17][c:18]([S:20](=[O:21])(=[O:22])[Cl:23])[n:19]2)[CH:8]1[c:9]1[cH:10][cH:11][c:12]([C:15]#[N:16])[cH:13][cH:14]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:35][CH2:36][NH2:37].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44]>>[C:1](#[N:2])[C:3]1=[C:4]([CH3:34])[N:5]([c:24]2[cH:25][c:26]([C:30]([F:31])([F:32])[F:33])[cH:27][cH:28][cH:29]2)[c:6]2[n:7]([n:17][c:18]([S:20](=[O:21])(=[O:22])[NH:37][CH2:36][CH3:35])[n:19]2)[CH:8]1[c:9]1[cH:10][cH:11][c:12]([C:15]#[N:16])[cH:13][cH:14]1