HRID143067

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID11334154

4-Boc-1-piperazinecarbonyl Chloride

C10H17ClN2O3

HCID22219894

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)SCc2ccc(OCc3ccc(F)cc3)cc2)CC1

HCID86585992

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-786db641742744ecb66bd8a85202cfe5
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:14](=[O:15])[Cl:16])[CH2:12][CH2:13]1.[F:17][c:18]1[cH:19][cH:20][c:21]([CH2:22][O:23][c:24]2[cH:25][cH:26][c:27]([CH2:30][SH:31])[cH:28][cH:29]2)[cH:32][cH:33]1.[OH2:34].[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:14](=[O:15])[S:31][CH2:30][c:27]2[cH:26][cH:25][c:24]([O:23][CH2:22][c:21]3[cH:20][cH:19][c:18]([F:17])[cH:33][cH:32]3)[cH:29][cH:28]2)[CH2:12][CH2:13]1