HRID1125818

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6342

Acetonitrile

C2H3N

HCID69828

Cyclopropanamine

C3H7N

结构：COC(=O)c1nc(-c2ccnn2-c2ccc(C#N)nc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

HCID66738829

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccnn2-c2ccc(C#N)nc2)nc(C(=O)NC2CC2)c(=O)n1-c1cccc(C(F)(F)F)c1

HCID24890485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74d8e4c51b06454e86c4ef103e2926e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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