HRID1144406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID81531

Diisopropylethylamine

C8H19N

HCID12583775

未命名化合物

结构：COC(=O)C(Cc1ccc(N)cc1)NC(=O)OC(C)(C)C

HCID22227788

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(Nc2nc3ccncc3cc2C#N)cc1)NC(=O)OC(C)(C)C

HCID69375556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d28582650fa4e1286bbf0b714511189
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

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