HRID1147437

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID67976

Benzoic acid, 4-fluoro-, ethyl ester

C9H9FO2

HCID22494620

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(N2CCN(c3ccc(OCCCCCCOC)cc3)CC2)cc1

HCID22494633

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd33e8ceb90943cd98c227528bf38184
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:34](=[O:35])([O-:36])[O-:37].[CH3:13][O:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][O:21][c:22]1[cH:23][cH:24][c:25]([N:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[cH:26][cH:27]1.[CH3:41][S:42]([CH3:43])=[O:44].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][cH:12]1.[K+:38].[K+:39].[OH2:40]>>[c:2]1([N:31]2[CH2:30][CH2:29][N:28]([c:25]3[cH:24][cH:23][c:22]([O:21][CH2:20][CH2:19][CH2:18][CH2:17][CH2:16][CH2:15][O:14][CH3:13])[cH:27][cH:26]3)[CH2:33][CH2:32]2)[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][cH:12]1