HRID2140813

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID30165

Iodide ion

I-

2 次

HCID32051

Zinc (II) cation

Zn+2

HCID237573

methyl 4-sulfanylbenzoate

C8H8O2S

结构：Cc1cc(OCc2c(C(C)C)nnn2-c2c(Cl)cccc2Cl)ccc1C(C)(C)O

HCID66704176

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(SC(C)(C)c2ccc(OCc3c(C(C)C)nnn3-c3c(Cl)cccc3Cl)cc2C)cc1

HCID66704155

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e73c286406b43ef9fb86caccacd53d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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