HRID1572746

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7693

4-Chlorophenyl isocyanate

C7H4ClNO

HCID144117

4-Fluoro-3-nitrophenyl isocyanate

C7H3FN2O3

结构：COc1ccc(-c2c[nH]c3ncccc23)cc1OC1CCCC1

HCID57891676

3-[3-(Cyclopentyloxy)-4-methoxyphenyl]-1H-pyrrolo[2,3-b]pyridine

C19H20N2O2

PRODUCTS

生成物

结构：COc1ccc(-c2cn(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c3ncccc23)cc1OC1CCCC1

HCID57891771

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-290f346acd784ec7be5f85dae9c8980f
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

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