HRID1216071

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

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID11197304

未命名化合物

PRODUCTS

生成物

结构：O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCNCC1

HCID23130883

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09117246c21d41ce9e17543e4702f66b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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