HRID1129767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2774534

2-(Ethylthio)Nicotinoyl Chloride

C8H8ClNOS

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCC(N)c3ccccc3)CC2)c1

HCID22048665

未命名化合物

PRODUCTS

生成物

结构：CCSc1ncccc1C(=O)NC(CCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1)c1ccccc1

HCID22049243

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a81813758594bf59bd218ea4a5d8123
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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