HRID936727

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID2724942

未命名化合物

HCID18474829

1-(2,3-Dihydro-1H-inden-4-yl)piperazine

C13H18N2

HCID24720884

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCC(CCN2CCN(c3cccc4c3CCC4)CC2)CC1

HCID68579647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c83bf740c1f748cf94e4e1e0309c3dfa
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22]([NH:23][CH:24]1[CH2:25][CH2:26][CH:27]([CH2:30][CH:31]=[O:32])[CH2:28][CH2:29]1)=[O:33].[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[C:55](=[O:56])([O-:57])[O-:58].[CH2:2]1[CH2:3][CH2:4][c:5]2[c:6]([N:11]3[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]3)[cH:7][cH:8][cH:9][c:10]21.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[Cl:61][CH:62]([Cl:63])[CH3:64].[ClH:1].[K+:59].[K+:60].[Na+:54].[OH2:65]>>[CH2:2]1[CH2:3][CH2:4][c:5]2[c:6]([N:11]3[CH2:12][CH2:13][N:14]([CH2:31][CH2:30][CH:27]4[CH2:26][CH2:25][CH:24]([NH:23][C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:33])[CH2:29][CH2:28]4)[CH2:15][CH2:16]3)[cH:7][cH:8][cH:9][c:10]21