HRID1565985

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID98210

3-Pyrrolidinol

C4H9NO

结构：COc1cc(C)cc(-c2nn(CC#N)cc2-c2ccnc(S(C)(=O)=O)n2)c1

HCID50899519

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)cc(-c2nn(CC#N)cc2-c2ccnc(N3CCC(O)C3)n2)c1

HCID66868546

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af3644a2abfc446c9563aefd094fb63f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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