HRID203614

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID2736205

1-(3,5-dimethoxyphenyl)piperazine

C12H18N2O2

HCID54547361

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)cc(N2CCN(C(=S)Nc3nc(C)c(C)nc3OC)CC2)c1

HCID53992009

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4956fd7eb77a4e578167ae59f0a1c243
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:37]1[CH2:38][CH2:39][C:40]2=[N:45][CH2:44][CH2:43][CH2:42][N:41]2[CH2:46][CH2:47]1.[CH3:1][c:2]1[n:3][c:4]([NH:11][C:12]([O:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)=[S:20])[c:5]([O:9][CH3:10])[n:6][c:7]1[CH3:8].[CH3:21][O:22][c:23]1[cH:24][c:25]([N:31]2[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]2)[cH:26][c:27]([O:29][CH3:30])[cH:28]1.[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1>>[CH3:1][c:2]1[n:3][c:4]([NH:11][C:12](=[S:20])[N:34]2[CH2:33][CH2:32][N:31]([c:25]3[cH:24][c:23]([O:22][CH3:21])[cH:28][c:27]([O:29][CH3:30])[cH:26]3)[CH2:36][CH2:35]2)[c:5]([O:9][CH3:10])[n:6][c:7]1[CH3:8]