HRID1561965

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7510

Nicotinyl alcohol

C6H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID294866

methyl 3-hydroxy-4-nitrobenzoate

C8H7NO5

PRODUCTS

生成物

结构：COC(=O)c1ccc([N+](=O)[O-])c(OCc2cccnc2)c1

HCID67256051

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d306a3b12c848c78697167576c409d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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