HRID156813

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2756819

1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate

C11H20N2O4

HCID11197304

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1

HCID68830719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4d748ddf6f4418fbbf4d46e18028ab0
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:47](=[O:48])([O-:49])[O-:50].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[Cl:18][c:19]1[cH:20][c:21]2[cH:22][cH:23][c:24]([S:29](=[O:30])(=[O:31])[CH2:32][CH2:33][C:34](=[O:35])[OH:36])[cH:25][c:26]2[cH:27][cH:28]1.[Cl:53][CH2:54][Cl:55].[K+:51].[K+:52].[N:1]1([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:2][CH:3]([C:7](=[O:8])[O:9][CH3:10])[NH:4][CH2:5][CH2:6]1.[OH:37][n:38]1[c:39]2[c:40]([cH:41][cH:42][cH:43][cH:44]2)[n:45][n:46]1>>[N:1]1([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:2][CH:3]([C:7](=[O:8])[O:9][CH3:10])[N:4]([C:34]([CH2:33][CH2:32][S:29]([c:24]2[cH:23][cH:22][c:21]3[cH:20][c:19]([Cl:18])[cH:28][cH:27][c:26]3[cH:25]2)(=[O:30])=[O:31])=[O:35])[CH2:5][CH2:6]1