HRID2314678

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

HCID67271562

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(C#N)ccc1CN(Cc1ncccc1C)Cc1ncccc1NC(=O)OC(C)(C)C

HCID67272813

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70b30e057ce34b8996dab1ba8915205e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([CH2:14][NH:15][CH2:16][c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[CH3:23])[n:10][cH:11][cH:12][cH:13]1)=[O:24].[CH3:25][O:26][C:27]([c:28]1[c:29]([CH2:36][Br:37])[cH:30][cH:31][c:32]([C:34]#[N:35])[cH:33]1)=[O:38].[CH3:48][C:49]#[N:50].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([CH2:14][N:15]([CH2:16][c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[CH3:23])[CH2:36][c:29]2[c:28]([C:27]([O:26][CH3:25])=[O:38])[cH:33][c:32]([C:34]#[N:35])[cH:31][cH:30]2)[n:10][cH:11][cH:12][cH:13]1)=[O:24]