HRID687379

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID30856

Mercuric oxide

HgO

结构：COc1cc2c(cc1CNC1CCCN(C(=S)NCCN)C1c1ccccc1)N(C)C(=O)CC2

HCID86587885

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1CNC1CCCN(C3=NCCN3)C1c1ccccc1)N(C)C(=O)CC2

HCID178486427

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bfb49ebe057649c68394a249eef53c44
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

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