HRID201612

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID230102

3-Fluoro-4-iodonitrobenzene

C6H3FINO2

HCID4574913

未命名化合物

HCID59305007

未命名化合物

PRODUCTS

生成物

结构：Cc1cn(COCC[Si](C)(C)C)c2nccc(Nc3ccc([N+](=O)[O-])cc3F)c12

HCID59304977

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3dcea1518bba4b149a41acdc89ab4f3d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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