HRID102288

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

HCID30165

Iodide ion

I-

HCID74499

Trimethylsulfoxonium

C3H9OS+

HCID4574913

未命名化合物

结构：C=C(c1ccc2nc(-c3ccc(C4OCCCO4)cc3F)sc2n1)C1CCCCC1

HCID67111604

未命名化合物

PRODUCTS

生成物

结构：Fc1cc(C2OCCCO2)ccc1-c1nc2ccc(C3(C4CCCCC4)CC3)nc2s1

HCID67111865

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1275934eb857439eb9abd6b0f201228e
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

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