HRID2146710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID76430

Thiazole, 2-bromo-

C3H2BrNS

HCID22321660

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(CC(=O)c2nccs2)CC1

HCID22321788

1,1-Dimethylethyl 4-[2-oxo-2-(2-thiazolyl)ethyl]-1-piperazinecarboxylate

C14H21N3O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-257111c91c234479b800492088b46760
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:6][c:7]1[s:8][cH:9][cH:10][n:11]1.[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:12][O:13][N:14]([C:15]([CH2:16][N:17]1[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]1)=[O:30])[CH3:31].[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[CH3:38][CH2:39][O:40][CH2:41][CH3:42].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:48]>>[c:7]1([C:15]([CH2:16][N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]2)=[O:30])[s:8][cH:9][cH:10][n:11]1