HRID682890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID24386

Thionyl chloride

Cl2OS

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

HCID21906474

4-(Methoxycarbonyl)-2-nitrobenzoic acid

C9H7NO6

HCID44134265

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c([N+](=O)[O-])c1

HCID68671770

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9bad91a0e4641fa85b1a6f51545ebaa
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

[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([N+:14](=[O:15])[O-:16])[c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13]1.[F:21][c:22]1[cH:23][c:24]([CH2:25][c:26]2[cH:27][c:28]3[c:29]([NH2:35])[n:30][nH:31][c:32]3[cH:33][cH:34]2)[cH:36][c:37]([F:39])[cH:38]1.[S:17]([Cl:18])([Cl:19])=[O:20].[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([N+:14](=[O:15])[O-:16])[c:8]([C:9](=[O:11])[NH:35][c:29]2[c:28]3[cH:27][c:26]([CH2:25][c:24]4[cH:23][c:22]([F:21])[cH:38][c:37]([F:39])[cH:36]4)[cH:34][cH:33][c:32]3[nH:31][n:30]2)[cH:12][cH:13]1