HRID172502

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID17965928

未命名化合物

HCID67272856

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(C#N)ccc1CN(Cc1ncc(Cl)cc1C)C(C)(C)c1ccccn1

HCID67271213

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50d4891c995f409281f0026fdefafe88
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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