HRID1238611

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID86621

2H-Pyran, 2-(2-bromoethoxy)tetrahydro-

C7H13BrO2

结构：CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(F)c(Cl)c3)c[nH]2)CC1

HCID178451793

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(F)c(Cl)c3)cn2CCOC2CCCCO2)CC1

HCID67265260

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d1875a35aa34dec94fe7d1698ba95f9
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

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