HRID679076

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID23994

Zinc

结构：Fc1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2C2CCCN2)cc1

HCID23145575

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1

HCID23145223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a76c843305b4712832760097abd85fe
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

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