HRID689684

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6809

Phthalimide

C8H5NO2

HCID8028

Tetrahydrofuran

C4H8O

HCID75555

未命名化合物

反应SMILES：OC(c1ccc2ccc(-c3ccccc3)nc2c1)c1nccnc1Cl

HCID53629014

未命名化合物

PRODUCTS

产物

反应SMILES：O=C1c2ccccc2C(=O)N1C(c1ccc2ccc(-c3ccccc3)nc2c1)c1nccnc1Cl

HCID53629013

2-[(3-Chloro-2-pyrazinyl)(2-phenyl-7-quinolinyl)methyl]-1H-isoindole-1,3(2H)-dione

C28H17ClN4O2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ee8a10ec86c24fa39df25c6044ee3d99
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[Cl:1][c:2]1[c:3]([CH:8]([OH:9])[c:10]2[cH:11][cH:12][c:13]3[cH:14][cH:15][c:16](-[c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[n:17][c:18]3[cH:19]2)[n:4][cH:5][cH:6][n:7]1.[O:26]=[C:27]1[NH:28][C:29](=[O:30])[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]21.[O:37]=[C:38]([O:39][CH:40]([CH3:41])[CH3:42])[N:43]=[N:44][C:45]([O:46][CH:47]([CH3:48])[CH3:49])=[O:50]>>[Cl:1][c:2]1[c:3]([CH:8]([c:10]2[cH:11][cH:12][c:13]3[cH:14][cH:15][c:16](-[c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[n:17][c:18]3[cH:19]2)[N:28]2[C:27](=[O:26])[c:36]3[c:31]([cH:32][cH:33][cH:34][cH:35]3)[C:29]2=[O:30])[n:4][cH:5][cH:6][n:7]1