HRID99142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID28557

18-Crown-6

C12H24O6

HCID68259

1-Naphthalenethiol

C10H8S

HCID78110

Bromocyclobutane

C4H7Br

PRODUCTS

生成物

HCID21963753

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0aa2fbeb103044fd979767a9a41f6183
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

[C:17]([O-:18])(=[O:19])[O-:20].[C:23](=[O:24])([OH:25])[O-:26].[CH3:47][C:48](=[O:49])[CH3:50].[CH3:54][C:55]#[N:56].[CH:12]1([Br:16])[CH2:13][CH2:14][CH2:15]1.[Cl:51][CH2:52][Cl:53].[K+:21].[K+:22].[K+:27].[O:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33][O:34][CH2:35][CH2:36][O:37][CH2:38][CH2:39][O:40][CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[OH2:46].[c:1]1([SH:11])[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[c:1]1([S:11]([CH:12]2[CH2:13][CH2:14][CH2:15]2)(=[O:18])=[O:46])[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12