HRID698770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID82604

Nicotinoyl chloride

C6H4ClNO

HCID22315234

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(C(CC2CCCC2)C(=O)Nc2ccccn2)cc1)c1cccnc1

HCID10158722

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b693cb2114f84bc48f9322cc5f62831c
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

[C:34]([c:35]1[cH:36][n:37][cH:38][cH:39][cH:40]1)(=[O:41])[Cl:42].[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[ClH:33].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([C:9](=[O:10])[NH:11][c:12]2[n:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:18][CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23]2)[cH:6][cH:7]1.[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH:8]([C:9](=[O:10])[NH:11][c:12]2[n:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:18][CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23]2)[cH:6][cH:7]1)[C:34]([c:35]1[cH:36][n:37][cH:38][cH:39][cH:40]1)=[O:41]