HRID86678

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID33558

Azide

N3-

结构：CCOC(=O)C(=NOCCBr)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID53679114

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(=NOCCN=[N+]=[N-])c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID54357777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34f4e1e9fd954e0aba7e07a6ba4e1389
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

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