HRID2313218

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID33558

Azide

N3-

HCID20527497

未命名化合物

PRODUCTS

生成物

结构：[N-]=[N+]=NC(=O)CC1c2ccccc2CCc2cc(Cl)ccc21

HCID20527494

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-813e2aebe3da481a9b49b1bfb9a04c3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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