HRID177748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID312

Chloride

Cl-

2 次

HCID7918

Acetic anhydride

C4H6O3

HCID32051

Zinc (II) cation

Zn+2

HCID78487

Imidazole-2-carboxaldehyde, 1-methyl-5-nitro-

C5H5N3O3

HCID23346374

2-Methyl-5-tridecyl-1,3,4-thiadiazole

C16H30N2S

PRODUCTS

生成物

结构：CCCCCCCCCCCCCc1nnc(C=Cc2ncc([N+](=O)[O-])n2C)s1

HCID53739186

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6fb3999c0b114573825e1dc77728c2b6
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

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