HRID1135246

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID84668

4-Azidobenzoyl chloride

C7H4ClN3O

结构：CCOC(=O)CSc1ncc(C(=O)Nc2ccc(F)cc2)c(NCCN)n1

HCID69523574

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CSc1ncc(C(=O)Nc2ccc(F)cc2)c(NCCNC(=O)c2ccc(N=[N+]=[N-])cc2)n1

HCID86760402

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70057ad2c1984a35939eabf8d48dc3af
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:13]([CH3:14])[O:15][C:16]([CH2:17][S:18][c:19]1[n:20][cH:21][c:22]([C:29]([NH:30][c:31]2[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]2)=[O:38])[c:23]([NH:25][CH2:26][CH2:27][NH2:28])[n:24]1)=[O:39].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[N:1](=[N+:2]=[N-:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[Cl:10])[cH:11][cH:12]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[N:1](=[N+:2]=[N-:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[NH:28][CH2:27][CH2:26][NH:25][c:23]2[c:22]([C:29]([NH:30][c:31]3[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]3)=[O:38])[cH:21][n:20][c:19]([S:18][CH2:17][C:16]([O:15][CH2:13][CH3:14])=[O:39])[n:24]2)[cH:11][cH:12]1