HRID1912560

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID69993

4-Methyloxybenzyl chloride

C8H9ClO

结构：COC(=O)C(OC(C)(C)C)c1c(C)nc2[nH]ccc2c1-c1ccc2c(c1)CCCO2

HCID71209024

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2ccc3c(-c4ccc5c(c4)CCCO5)c(C(OC(C)(C)C)C(=O)O)c(C)nc32)cc1

HCID71209457

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in a manner similar to that described in Example 27, Step H from methyl 2-(tert-butoxy)-2-(4-(chroman-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetate and 4-methoxybenzyl chloride. 1H NMR (400 MHz, CHLOROFORM-d) δ ppm 7.50-7.42 (m, 1 H), 7.27-7.16 (m, 3 H), 7.03 (t, J=3.2 Hz, 1 H), 6.93 (dd, J=6.1, 8.3 Hz, 1 H), 6.88 (d, J=8.6 Hz, 2 H), 6.25 (dd, J=3.5, 11.3 Hz, 1 H), 5.60-5.49 (m, 2 H), 5.47-5.38 (m, 1 H), 4.28 (t, J=4.9 Hz, 2 H), 3.80 (s, 3 H), 2.95-2.79 (m, 2 H), 2.78 (s, 3 H), 2.10-2.04 (m, 2 H), 1.01-0.91 (s, 9 H); LC/MS (m/z) ES+=515.38 (M+1).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af68b9e5d56744419ce83a4c605a226c
来源数据集: uspto-grants-2013_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08609653B2
来源说明: uspto-grants-2013_12

反应 SMILES

[C:1]([O:5][CH:6]([C:11]1[C:12]([C:21]2[CH:22]=[C:23]3[C:28](=[CH:29][CH:30]=2)[O:27][CH2:26][CH2:25][CH2:24]3)=[C:13]2[CH:20]=[CH:19][NH:18][C:14]2=[N:15][C:16]=1[CH3:17])[C:7]([O:9]C)=[O:8])([CH3:4])([CH3:3])[CH3:2].[CH3:31][O:32][C:33]1[CH:40]=[CH:39][C:36]([CH2:37]Cl)=[CH:35][CH:34]=1>>[C:1]([O:5][CH:6]([C:11]1[C:12]([C:21]2[CH:22]=[C:23]3[C:28](=[CH:29][CH:30]=2)[O:27][CH2:26][CH2:25][CH2:24]3)=[C:13]2[CH:20]=[CH:19][N:18]([CH2:37][C:36]3[CH:39]=[CH:40][C:33]([O:32][CH3:31])=[CH:34][CH:35]=3)[C:14]2=[N:15][C:16]=1[CH3:17])[C:7]([OH:9])=[O:8])([CH3:4])([CH3:2])[CH3:3]