HRID2334636

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID49851901

未命名化合物

反应SMILES：CS(=O)(=O)OCCc1cccc(N2CCNC2=O)c1

HCID57444297

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1

HCID11292933

GSK-163090

C25H29N5O

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3f489d68653542c88a3ac513e66e2da2
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

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