HRID2169128

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

HCID86725783

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(Cc2ccccc2-c2ccccc2Cl)nc(O)c1OCc1ccccc1

HCID178450817

未命名化合物

收率 55.8%

PROCEDURE

实验过程

5-Benzyloxy-2-(2′-chloro-biphenyl-2-ylmethyl)-6-hydroxypyrimidine-4-carboxylic acid tert-butyl ester (6-02) (5 g, 55.8%) was synthesized as a brown solid from 2-(2′-chloro-biphenyl-2-yl)-acetamidine hydrochloride salt (5-02) (5 g, 17.82 mmol) and (E)-2-benzyloxy-3-hydroxy-but-2-enedioic acid 4-tert-butyl ester 1-methyl ester (4) (9.4 g, 30.73 mmol) 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-d9bddfb2eb8b4d4ab8a25090f3160ab2
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][CH:6]=[CH:5][C:4]=1[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[CH2:15][C:16]([NH2:18])=[NH:17].C[O:20][C:21](=O)/[C:22](/[O:32][CH2:33][C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1)=[C:23](\O)/[C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25].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:27]([O:26][C:24]([C:23]1[C:22]([O:32][CH2:33][C:34]2[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=2)=[C:21]([OH:20])[N:18]=[C:16]([CH2:15][C:10]2[CH:11]=[CH:12][CH:13]=[CH:14][C:9]=2[C:4]2[CH:5]=[CH:6][CH:7]=[CH:8][C:3]=2[Cl:2])[N:17]=1)=[O:25])([CH3:30])([CH3:28])[CH3:29]