HRID676078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID19800556

tert-Butyl 5-amino-1H-indazole-1-carboxylate

C12H15N3O2

结构：COc1cc2nc(-c3cccc([N+](=O)[O-])c3)nc(Cl)c2cc1OC(C)=O

HCID59361875

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nc(-c3cccc([N+](=O)[O-])c3)nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c2cc1OC(C)=O

HCID66826043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c485c4b49624922819cabde01b11ee1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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