HRID1984114

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nnc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12

HCID11217202

(DHQD)2PHAL

C48H54N6O4

HCID22124471

未命名化合物

结构：C=CC#Cc1cn(Cc2ncc(C)c(OC)c2C)c2nc(N)nc(Cl)c12

HCID57713813

未命名化合物

PRODUCTS

生成物

结构：COc1c(C)cnc(Cn2cc(C#C[C@@H](O)CO)c3c(Cl)nc(N)nc32)c1C

HCID57713808

未命名化合物

PROCEDURE

实验过程

Treatment of 5-(but-3-en-1-ynyl)-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (see example 46) (35 mg) with AD-mix-β (Aldrich, 540 mg) in t-BuOH:THF:water 1:1:1 (6 mL) at rt overnight, followed by work-up and reverse-phase preparative HPLC gave the title compound (10 mg), as a solid. HPLC Rt=4.13 min

WORKUP

后处理

customat rt
customovernight

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-598d0b0fb2d048ce8d77d460d7254c60
来源数据集: uspto-grants-2009_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07544672B2
来源说明: uspto-grants-2009_06

反应 SMILES

[C:1]([C:5]1[C:13]2[C:12]([Cl:14])=[N:11][C:10]([NH2:15])=[N:9][C:8]=2[N:7]([CH2:16][C:17]2[C:22]([CH3:23])=[C:21]([O:24][CH3:25])[C:20]([CH3:26])=[CH:19][N:18]=2)[CH:6]=1)#CC=C.CC[C@@H]1[C@@H]2C[C@H]([C@@H](OC3C4C(=CC=CC=4)C(O[C@@H](C4C=CN=C5C=4C=C(OC)C=C5)[C@@H]4N5C[C@H](CC)[C@@H](CC5)C4)=NN=3)C3C=CN=C4C=3C=C([O:48]C)C=C4)N(CC2)C1.C[C:86]([OH:89])([CH3:88])[CH3:87].C1COCC1.O>>[NH2:15][C:10]1[N:11]=[C:12]([Cl:14])[C:13]2[C:5]([C:1]#[C:87][C@@H:86]([OH:89])[CH2:88][OH:48])=[CH:6][N:7]([CH2:16][C:17]3[C:22]([CH3:23])=[C:21]([O:24][CH3:25])[C:20]([CH3:26])=[CH:19][N:18]=3)[C:8]=2[N:9]=1