HRID89406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID12272

3-Iodophenol

C6H5IO

HCID32051

Zinc (II) cation

Zn+2

HCID14374025

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC1CSC(Oc2cccc(I)c2)C(OC(C)=O)C1OC(C)=O

HCID178475696

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a99850f089e8415bb3ef2024579ea6e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:23]([CH3:24])(=[O:25])[O:26][CH:27]1[CH:28]([Br:41])[S:29][CH2:30][CH:31]([O:37][C:38]([CH3:39])=[O:40])[CH:32]1[O:33][C:34]([CH3:35])=[O:36].[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH3:52][C:53]#[N:54].[Cl-:42].[Cl-:44].[OH2:51].[OH:8][c:9]1[cH:10][cH:11][cH:12][c:13]([I:14])[cH:15]1.[Zn+2:43]>>[O:8]([c:9]1[cH:10][cH:11][cH:12][c:13]([I:14])[cH:15]1)[CH:28]1[CH:27]([O:26][C:23]([CH3:24])=[O:25])[CH:32]([O:33][C:34]([CH3:35])=[O:36])[CH:31]([O:37][C:38]([CH3:39])=[O:40])[CH2:30][S:29]1