HRID2344412

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

反应SMILES：COC(=O)c1cc(Br)c([N+](=O)[O-])s1

HCID13291027

Methyl 4-bromo-5-nitrothiophene-2-carboxylate

C6H4BrNO4S

HCID21886332

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)c1cc(Sc2ccc(C)c(-c3ccccc3)c2)c([N+](=O)[O-])s1

HCID69586682

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2ddf5ad1df2240889dad59d4105fb21d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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