HRID196175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID7693

4-Chlorophenyl isocyanate

C7H4ClNO

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID11673285

3-(3,4-dimethoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine

C15H14N2O2

PRODUCTS

生成物

结构：COc1ccc(-c2cn(C(=O)Nc3ccc(Cl)cc3)c3ncccc23)cc1OC

HCID57891706

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-987745dce1e24c87b2732434481305fc
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

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