HRID1645366

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1cccc2c(C)c(C(=O)Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)[nH]c12

HCID59365156

未命名化合物

HCID178418351

未命名化合物

HCID178501163

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2c(C)c(C(=O)Nc3ccc(N4CCN(C(=O)[C@H]5CC[C@H](C(=O)O)CC5)CC4)cc3)[nH]c12

HCID178488579

未命名化合物

PROCEDURE

实验过程

With a procedure similar to the example above, trans-4-(4-{4-[(7-methoxy-3-methyl-1H-indole-2-carbonyl)-amino]-phenyl}-piperazine-1-carbonyl)-cyclohexanecarboxylic acid was prepared from 4-{4-[(7-methoxy-3-methyl-1H-indole-2-carbonyl)-amino]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester and trans-cyclohexane-1,4-dicarboxylic acid monomethyl ester, followed by a standard LiOH—H2O saponification procedure to remove the methyl ester. LCMS calcd for C29H34N4O5 (m/e) 518, obsd 519 (M+H).

WORKUP

后处理

customto remove the methyl ester

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff1b537f8ed0401ea4514c3e19d495d2
来源数据集: uspto-grants-2012_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08124766B2
来源说明: uspto-grants-2012_02

反应 SMILES

C(O[C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[CH:19]=[CH:18][C:17]([NH:20][C:21]([C:23]3[NH:24][C:25]4[C:30]([C:31]=3[CH3:32])=[CH:29][CH:28]=[CH:27][C:26]=4[O:33][CH3:34])=[O:22])=[CH:16][CH:15]=2)[CH2:10][CH2:9]1)=[O:7])(C)(C)C.C[O:36][C:37]([C@H:39]1[CH2:44][CH2:43][C@H:42](C(O)=O)[CH2:41][CH2:40]1)=[O:38].O[Li].O>>[CH3:34][O:33][C:26]1[CH:27]=[CH:28][CH:29]=[C:30]2[C:25]=1[NH:24][C:23]([C:21]([NH:20][C:17]1[CH:16]=[CH:15][C:14]([N:11]3[CH2:10][CH2:9][N:8]([C:6]([C@H:42]4[CH2:43][CH2:44][C@H:39]([C:37]([OH:38])=[O:36])[CH2:40][CH2:41]4)=[O:7])[CH2:13][CH2:12]3)=[CH:19][CH:18]=1)=[O:22])=[C:31]2[CH3:32]