HRID2129458

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID888

Magnesium cation

Mg+2

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

2 次

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID66111

Trimethylsilylacetylene

C5H10Si

HCID3595298

未命名化合物

HCID11240787

Methyl 3-azidobenzoate

C8H7N3O2

HCID22224853

未命名化合物

PRODUCTS

生成物

HCID69592868

Ethyl β-oxo-3-(1H-1,2,3-triazol-1-yl)benzenepropanoate

C13H13N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-768e286257644f10a1dcdf9314abda20
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

[C:44]([CH2:45][C:46]([O-:47])=[O:48])(=[O:49])[O:50][CH2:51][CH3:52].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:56][Si:57]([C:58]#[CH:59])([CH3:60])[CH3:61].[CH3:62][C:63]#[N:64].[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[CH3:72][CH2:73][OH:74].[Cl-:53].[Cl-:55].[Cl:30][C:31]([O:32][CH2:33][CH3:34])=[O:35].[K+:43].[Mg+2:54].[N:15]([c:16]1[cH:17][c:18]([C:22]([O:23][CH3:24])=[O:25])[cH:19][cH:20][cH:21]1)=[N+:26]=[N-:27].[Na+:29].[OH-:28].[n:1]1(-[c:6]2[cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13][cH:14]2)[n:2][n:3][cH:4][cH:5]1>>[n:1]1(-[c:6]2[cH:7][c:8]([C:9](=[O:11])[CH2:45][C:44](=[O:49])[O:50][CH2:51][CH3:52])[cH:12][cH:13][cH:14]2)[n:2][n:3][cH:4][cH:5]1