HRID702545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID2724942

未命名化合物

结构：CC(C)(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1CC=O

HCID57899287

未命名化合物

HCID67158156

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C=Cc1ccc(C2CCCN2CCc2c(C(C)(C)C)[nH]c3cc([N+](=O)[O-])ccc23)cc1

HCID67158330

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-003e2765521d45dc951605225f4ae84f
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])([CH3:3])([CH3:4])[c:5]1[nH:6][c:7]2[cH:8][c:9]([N+:17](=[O:18])[O-:19])[cH:10][cH:11][c:12]2[c:13]1[CH2:14][CH:15]=[O:16].[C:45]([O:46][BH-:47]([O:48][C:49](=[O:50])[CH3:51])[O:52][C:53](=[O:54])[CH3:55])(=[O:56])[CH3:57].[CH3:21][O:22][C:23]([CH:24]=[CH:25][c:26]1[cH:27][cH:28][c:29]([CH:32]2[NH:33][CH2:34][CH2:35][CH2:36]2)[cH:30][cH:31]1)=[O:37].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[ClH:20].[Na+:58].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[nH:6][c:7]2[cH:8][c:9]([N+:17](=[O:18])[O-:19])[cH:10][cH:11][c:12]2[c:13]1[CH2:14][CH2:15][N:33]1[CH:32]([c:29]2[cH:28][cH:27][c:26]([CH:25]=[CH:24][C:23]([O:22][CH3:21])=[O:37])[cH:31][cH:30]2)[CH2:36][CH2:35][CH2:34]1