HRID105637

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID74499

Trimethylsulfoxonium

C3H9OS+

HCID4574913

未命名化合物

结构：C=C(c1ccc2nc(-c3ccc(C4OCCCO4)cc3F)sc2c1)c1ccccn1

HCID67111879

未命名化合物

PRODUCTS

生成物

结构：Fc1cc(C2OCCCO2)ccc1-c1nc2ccc(C3(c4ccccn4)CC3)cc2s1

HCID67111864

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c91aeea7d21417080fba1ec11f8a904
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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