HRID170159

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

HCID9236

2-Azabicyclo(2.2.2)octane

C7H13N

HCID19660

Carbonate

CO3-2

HCID21448662

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：N#CC1(CCN2CC3CCC2CC3)c2ccccc2CCCc2ccccc21

HCID21448661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09015fdbe14849b1a398601f1cfe78ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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