HRID1235698

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

HCID9948802

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1)c1cccnc1

HCID10273664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1f05e4796954cb3a39add437335bf8b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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