HRID683652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

HCID11218053

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyran

C11H19BO3

结构：O=[N+]([O-])c1ccc2c(c1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID58946443

3-Bromo-5-nitro-1-(triphenylmethyl)-1H-indazole

C26H18BrN3O2

PRODUCTS

生成物

结构：O=[N+]([O-])c1ccc2c(c1)c(C1=CCOCC1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID67419494

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30ebbb46125e4bbe8b58b2edbe40a776
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

[Br:16][c:17]1[n:18][n:19]([C:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:20]2[cH:21][cH:22][c:23]([N+:26](=[O:27])[O-:28])[cH:24][c:25]12.[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([C:9]2=[CH:14][CH2:13][O:12][CH2:11][CH2:10]2)[O:15]1.[K+:53].[K+:54].[K+:55].[O:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1.[P:48]([O-:49])([O-:50])([O-:51])=[O:52]>>[C:9]1([c:17]2[n:18][n:19]([C:29]([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[c:20]3[cH:21][cH:22][c:23]([N+:26](=[O:27])[O-:28])[cH:24][c:25]23)=[CH:14][CH2:13][O:12][CH2:11][CH2:10]1