HRID803604

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID67865

Benzenamine, 2-nitro-4-(trifluoromethyl)-

C7H5F3N2O2

HCID82157

Nitrosylsulfuric acid

HNO5S

结构：CC(C)(C)CC(C)(C)c1ccc(O)c(C(C)(C)c2ccccc2)c1

HCID22644018

Phenol, 2-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-

C23H32O

PRODUCTS

生成物

结构：CC(C)(C)CC(C)(C)c1cc(N=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)c(C(C)(C)c2ccccc2)c1

HCID135804132

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-025e2fde19f9454595e2c77751d8b06c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:15]([CH3:16])([CH3:17])([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[c:24]1[c:25]([OH:38])[cH:26][cH:27][c:28]([C:30]([CH3:31])([CH3:32])[CH2:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:29]1.[F:1][C:2]([c:3]1[cH:4][c:5]([N+:10](=[O:11])[O-:12])[c:6]([NH2:7])[cH:8][cH:9]1)([F:13])[F:14].[N:44]([O:45][S:46](=[O:47])(=[O:48])[OH:49])=[O:50].[OH2:51].[S:39](=[O:40])(=[O:41])([OH:42])[OH:43]>>[F:1][C:2]([c:3]1[cH:4][c:5]([N+:10](=[O:11])[O-:12])[c:6]([N:7]=[N:44][c:26]2[c:25]([OH:38])[c:24]([C:15]([CH3:16])([CH3:17])[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:29][c:28]([C:30]([CH3:31])([CH3:32])[CH2:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:27]2)[cH:8][cH:9]1)([F:13])[F:14]