HRID209483

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID3776

Isopropanol

C3H8O

HCID30165

Iodide ion

I-

HCID10998661

未命名化合物

结构：Cc1cc(CNC(=O)c2sc(C)c3c2CC2C3C2(C)C)cc(C)c1O

HCID178426584

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(CNC(=O)c2sc(C)c3c2CC2C3C2(C)C)cc(C)c1OCC1COC(C)(C)OC1

HCID178426585

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-814159f61dab426db0827ef523cb5977
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

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