HRID1575364

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

结构：CC(C)(C)OC(=O)C1CN(C(=O)OC(C)(C)C)CCN1

HCID2756817

n-4-boc-2-piperazinecarboxylic acid tert-butyl ester

C14H26N2O4

HCID11197304

未命名化合物

PRODUCTS

生成物

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

HCID23130894

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c27193a6fa34ce4ac42f820daeb9893
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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