HRID154838

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7475

4-Nitrobenzenamine

C6H6N2O2

HCID8028

Tetrahydrofuran

C4H8O

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

反应SMILES：CC(C)(C)c1cc(C(=O)O)cc(C(C)(C)C)c1O

HCID15007

Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-

C15H22O3

PRODUCTS

产物

反应SMILES：CC(C)(C)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O

HCID7124367

Benzamide, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-N-(4-nitrophenyl)-

C21H26N2O4

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-319937780d4b433c8c6cf7c7ecbe0259
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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