查数据/反应详情

HRID179822

反应详情

EQUATION

反应方程式

HRID 179822 的结构方程式

REACTANTS

反应物

2

结构：O=C(O)c1cc([N+](=O)[O-])ccc1O

Benzoic acid, 2-hydroxy-5-nitro-

C7H5NO5

结构：CC(C)(C)c1cc(N)cc(C(C)(C)C)c1

3,5-Di-tert-butylaniline

C14H23N

PRODUCTS

生成物

1

结构：CC(C)(C)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(C(C)(C)C)c1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0c19ae36b814629ad830ac177373cc5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:14][C:15]([CH3:16])([CH3:17])[c:18]1[cH:19][c:20]([NH2:21])[cH:22][c:23]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:24]1.[OH:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([N+:11]([O-:12])=[O:13])[cH:7][cH:8][c:9]1[OH:10]>>[C:2](=[O:3])([c:4]1[cH:5][c:6]([N+:11]([O-:12])=[O:13])[cH:7][cH:8][c:9]1[OH:10])[NH:21][c:20]1[cH:19][c:18]([C:15]([CH3:14])([CH3:16])[CH3:17])[cH:24][c:23]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:22]1

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