HRID2169160

反应详情

EQUATION

反应方程式

REACTANTS

反应物

$结构：COC(=O)/C(OCc1ccccc1)=C(\O)C(=O)OC(C)(C)C$

HCID54679005

未命名化合物

HCID86725809

未命名化合物

结构：CC(C)(C)OC(=O)c1nc(Cc2ccccc2-c2ccccc2)nc(O)c1OCc1ccccc1

HCID178450818

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1nc(CC2(c3ccc(Cl)cc3)CCCC2)nc(O)c1OCc1ccccc1

HCID178450811

未命名化合物

收率 55.1%

PROCEDURE

实验过程

5-Benzyloxy-2-[1-(4-chlorophenyl)-cyclopentylmethyl]-6-hydroxypyrimidine-4-carboxylic acid tert-butyl ester (27-02) (12 g, 55%) was synthesized from [1-(4-chlorophenyl)-cyclopentyl]-acetonitrile (26-02) (12 g, 44.03 mmol) and (E)-2-benzyloxy-3-hydroxy-but-2-enedioic acid 4-tert-butyl ester 1-methyl ester (4) (23.49 g, 76.27 mmol) as a yellow solid following the procedure as described for 5-benzyloxy-2-biphenyl-2-ylmethyl-6-hydroxypyrimidine-4-carboxylic acid tert-butyl ester (6-01).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3786a07d81604e2d9163e153cf9405d5
来源数据集: uspto-grants-2015_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09045486B2
来源说明: uspto-grants-2015_06

反应 SMILES

Cl.[Cl:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2([CH2:14][C:15]([NH2:17])=[NH:16])[CH2:13][CH2:12][CH2:11][CH2:10]2)=[CH:5][CH:4]=1.C[O:19][C:20](=O)/[C:21](/[O:31][CH2:32][C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)=[C:22](\O)/[C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24].C(OC(C1C(OCC2C=CC=CC=2)=C(O)N=C(CC2C=CC=CC=2C2C=CC=CC=2)N=1)=O)(C)(C)C>>[C:26]([O:25][C:23]([C:22]1[C:21]([O:31][CH2:32][C:33]2[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=2)=[C:20]([OH:19])[N:17]=[C:15]([CH2:14][C:9]2([C:6]3[CH:5]=[CH:4][C:3]([Cl:2])=[CH:8][CH:7]=3)[CH2:13][CH2:12][CH2:11][CH2:10]2)[N:16]=1)=[O:24])([CH3:29])([CH3:27])[CH3:28]