HRID199599

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID935

Nickel

HCID961

Hydroxide

HO-

结构：CN(C)S(=O)(=O)n1cc(CC(C)(C)C)nc1C(O)C1(c2ccc(-c3ccccn3)cc2)SCCCS1

HCID86637791

未命名化合物

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)n1cc(CC(C)(C)C)nc1C(O)Cc1ccc(-c2ccccn2)cc1

HCID66705591

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75f759f167084c76bb7573396495e0c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:39][CH2:40][OH:41].[CH3:3][C:4]([CH2:5][c:6]1[n:7][c:8]([CH:17]([C:18]2([c:24]3[cH:25][cH:26][c:27](-[c:30]4[n:31][cH:32][cH:33][cH:34][cH:35]4)[cH:28][cH:29]3)[S:19][CH2:20][CH2:21][CH2:22][S:23]2)[OH:36])[n:9]([S:11](=[O:12])(=[O:13])[N:14]([CH3:15])[CH3:16])[cH:10]1)([CH3:37])[CH3:38].[K+:2].[Ni:42].[OH-:1]>>[CH3:3][C:4]([CH2:5][c:6]1[n:7][c:8]([CH:17]([CH2:18][c:24]2[cH:25][cH:26][c:27](-[c:30]3[n:31][cH:32][cH:33][cH:34][cH:35]3)[cH:28][cH:29]2)[OH:36])[n:9]([S:11](=[O:12])(=[O:13])[N:14]([CH3:15])[CH3:16])[cH:10]1)([CH3:37])[CH3:38]