HRID2251586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21642

1-Bromopinacolone

C6H11BrO

结构：CCOC(=O)C(C)(C)Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)C(N)=S)cc1

HCID59643200

未命名化合物

PRODUCTS

生成物

结构：CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2nc(C(C)(C)C)cs2)cc1)C(=O)O

HCID59643234

未命名化合物

PROCEDURE

实验过程

Similarly prepared from ethyl 2-[4-(2-{(aminocarbonothioyl)[2,4-bis(trifluoromethyl)benzyl]amino}ethyl)phenoxy]-2-methylpropanoate and 1-bromopinacolone.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e177ccd243c4582913ec60acbb45434
来源数据集: uspto-grants-2008_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07319104B2
来源说明: uspto-grants-2008_01

反应 SMILES

[NH2:1][C:2]([N:4]([CH2:22][C:23]1[CH:28]=[CH:27][C:26]([C:29]([F:32])([F:31])[F:30])=[CH:25][C:24]=1[C:33]([F:36])([F:35])[F:34])[CH2:5][CH2:6][C:7]1[CH:21]=[CH:20][C:10]([O:11][C:12]([CH3:19])([CH3:18])[C:13]([O:15]CC)=[O:14])=[CH:9][CH:8]=1)=[S:3].Br[CH2:38][C:39](=O)[C:40]([CH3:43])([CH3:42])[CH3:41]>>[F:35][C:33]([F:34])([F:36])[C:24]1[CH:25]=[C:26]([C:29]([F:32])([F:31])[F:30])[CH:27]=[CH:28][C:23]=1[CH2:22][N:4]([C:2]1[S:3][CH:38]=[C:39]([C:40]([CH3:43])([CH3:42])[CH3:41])[N:1]=1)[CH2:5][CH2:6][C:7]1[CH:8]=[CH:9][C:10]([O:11][C:12]([CH3:19])([CH3:18])[C:13]([OH:15])=[O:14])=[CH:20][CH:21]=1