HRID116404

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

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-9a9904dba2be4a6aa3c96588596f2fc6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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