HRID1125742

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

HCID6661

1,3-Dimethyl-2-imidazolidinone

C5H10N2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID104967

Cesium(1+)

Cs+

2 次

HCID15887436

1-Piperazine-1-yl-isoquinoline

C13H15N3

结构：CC(C)(C)OC(=O)N1CCC(CCCOS(C)(=O)=O)CC1

HCID21190098

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CCCN2CCN(c3nccc4ccccc34)CC2)CC1

HCID57507764

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85f5fbe7e7b44661bbd311b4d325afa3
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:48](=[O:49])([O-:50])[O-:51].[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH3:6])[C:7]1=[O:8].[CH3:56][CH2:57][O:58][C:59]([CH3:60])=[O:61].[CH3:9][S:10]([O:11][CH2:14][CH2:15][CH2:16][CH:17]1[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]1)(=[O:12])=[O:13].[ClH:30].[ClH:31].[Cs+:52].[Cs+:53].[I-:55].[N:32]1([c:38]2[n:39][cH:40][cH:41][c:42]3[cH:43][cH:44][cH:45][cH:46][c:47]23)[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1.[Na+:54]>>[CH2:14]([CH2:15][CH2:16][CH:17]1[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]1)[N:35]1[CH2:34][CH2:33][N:32]([c:38]2[n:39][cH:40][cH:41][c:42]3[cH:43][cH:44][cH:45][cH:46][c:47]23)[CH2:37][CH2:36]1