HRID1221749

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)C1CCOCC1

HCID67112136

未命名化合物

PRODUCTS

生成物

结构：Fc1cc(C2OCCCO2)ccc1-c1nc2ccc(C3(C4CCOCC4)CC3)nc2s1

HCID67111805

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-413cfdbd24e14f598e139240fde49a3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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