HRID305951

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID944

Nitric Acid

HNO3

HCID78856

m-Chlorophenethylic alcohol

C8H9ClO

HCID4056967

Methyl 3-hydroxy-4-methoxybenzoate

C9H10O4

HCID67076296

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(OCCc2cccc(Cl)c2)c(OC)cc1[N+](=O)[O-]

HCID67076791

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b3d7f691a0e4020b4681fa8d6bc606d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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