HRID2130914

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID962

Water

H2O

HCID37511

Dimepranol

C5H13NO

HCID5360545

Sodium

结构：CCOCN1C(C)=C(C(=O)OC)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C1C

HCID12602967

未命名化合物

PRODUCTS

生成物

结构：CCOCN1C(C)=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C1C

HCID12602968

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5241f3749c0a4555bdb253774b3a7c49
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:3]([CH3:4])[O:5][CH2:6][N:7]1[C:8]([CH3:31])=[C:9]([C:27](=[O:28])[O:29][CH3:30])[CH:10]([c:18]2[cH:19][c:20]([N+:24](=[O:25])[O-:26])[cH:21][cH:22][cH:23]2)[C:11]([C:14](=[O:15])[O:16][CH3:17])=[C:12]1[CH3:13].[CH3:32][N:33]([CH3:34])[CH2:35][CH:36]([OH:37])[CH3:38].[Na:1].[OH2:2].[cH:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[CH2:3]([CH3:4])[O:5][CH2:6][N:7]1[C:8]([CH3:31])=[C:9]([C:27](=[O:28])[O:29][CH3:30])[CH:10]([c:18]2[cH:19][c:20]([N+:24](=[O:25])[O-:26])[cH:21][cH:22][cH:23]2)[C:11]([C:14](=[O:15])[OH:16])=[C:12]1[CH3:13]