HRID2135883

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID69828

Cyclopropanamine

C3H7N

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：CC1=C(C#N)C(c2ccc(C#N)cc2)n2nc(S(=O)(=O)NC3CC3)nc2N1c1cccc(C(F)(F)F)c1

HCID75217933

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-136328f69974486d8dc1cdab95f45ccf
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.[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH:35]1([NH2:38])[CH2:36][CH2:37]1>>[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:38][CH:35]3[CH2:36][CH2:37]3)[n:19]2)[CH:8]1[c:9]1[cH:10][cH:11][c:12]([C:15]#[N:16])[cH:13][cH:14]1