HRID1949709

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN(C(=O)c1cc2c(s1)-c1ccc(Br)cc1OCC2)c1ccccc1Cl

HCID44242427

未命名化合物

结构：CN(CC(N)C(C)(C)C)C(=O)O.CN(CCN)C(=O)OC(C)(C)C

HCID86634841

未命名化合物

PRODUCTS

生成物

结构：CN(CCNC(=O)c1ccc2c(c1)OCCc1cc(C(=O)N(C)c3ccccc3Cl)sc1-2)C(=O)OC(C)(C)C

HCID57900118

未命名化合物

PROCEDURE

实验过程

Following the procedure of Example 13 and General Procedure C, 8-bromo-N-(2-chlorophenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide 150 and N-Boc-N-methyl-ethylenediamine (tert-butyl 2-aminoethyl(methyl)carbamate) were reacted to give 139. MS: (ESI+) 470.2.

WORKUP

后处理

customwere reacted

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59399c6323b248e6ba5728f3a21c6528
来源数据集: uspto-grants-2013_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08399690B2
来源说明: uspto-grants-2013_03

反应 SMILES

Br[C:2]1[CH:3]=[CH:4][C:5]2[C:11]3[S:12][C:13]([C:15]([N:17]([C:19]4[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=4[Cl:25])[CH3:18])=[O:16])=[CH:14][C:10]=3[CH2:9][CH2:8][O:7][C:6]=2[CH:26]=1.C(C(N)CN(C)[C:34](=O)[OH:35])(C)(C)C.[C:39]([N:46]([CH3:50])[CH2:47][CH2:48][NH2:49])([O:41][C:42]([CH3:45])([CH3:44])[CH3:43])=[O:40]>>[Cl:25][C:20]1[CH:21]=[CH:22][CH:23]=[CH:24][C:19]=1[N:17]([CH3:18])[C:15]([C:13]1[S:12][C:11]2[C:5]3[CH:4]=[CH:3][C:2]([C:34]([NH:49][CH2:48][CH2:47][N:46]([CH3:50])[C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:35])=[CH:26][C:6]=3[O:7][CH2:8][CH2:9][C:10]=2[CH:14]=1)=[O:16]