HRID935042

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

Dimethylformamide

C3H7NO

HCID6386

tert-Butyl alcohol

C4H10O

HCID8471

Triethylamine

C6H15N

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

结构：COC(=O)c1cc(-c2cccnc2)n(-c2ccc(Cl)c(Cl)c2)n1

HCID12110616

未命名化合物

PRODUCTS

生成物

结构：[N-]=[N+]=NC(=O)c1cc(-c2cccnc2)n(-c2ccc(Cl)c(Cl)c2)n1

HCID12110618

1-(3,4-Dichlorophenyl)-5-pyridin-3-yl-1H-pyrazole-3-carbonyl azide

C15H8Cl2N6O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ccb257542224719b8bd3a629339b50b
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:25]([OH:26])([CH3:27])([CH3:28])[CH3:29].[CH3:2][O:3][C:4](=[O:5])[c:6]1[n:7][n:8](-[c:17]2[cH:18][c:19]([Cl:24])[c:20]([Cl:23])[cH:21][cH:22]2)[c:9](-[c:11]2[cH:12][n:13][cH:14][cH:15][cH:16]2)[cH:10]1.[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[ClH:1].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)(=[O:38])[N:44]=[N+:45]=[N-:46])[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[O:3]=[C:4]([c:6]1[n:7][n:8](-[c:17]2[cH:18][c:19]([Cl:24])[c:20]([Cl:23])[cH:21][cH:22]2)[c:9](-[c:11]2[cH:12][n:13][cH:14][cH:15][cH:16]2)[cH:10]1)[N:44]=[N+:45]=[N-:46]