HRID1189563

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24229770

2-(Morpholine-4-sulfonyl)benzaldehyde

C11H13NO4S

结构：Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)n1CC(=O)O

HCID53246027

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Cc2ccccc2S(=O)(=O)N2CCOCC2)c(-c2ccccc2)c(-c2ccccc2)n1CC(=O)O

HCID53246147

未命名化合物

PROCEDURE

实验过程

2-(2-methyl-3-(2-(morpholinosulfonyl)benzyl)-4,5-diphenyl-1H-pyrrol-1-yl)acetic acid was synthesized according to 2-(2-methyl-4,5-diphenyl-3-(2-(phenylsulfonyl)benzyl)-1H-pyrrol-1-yl)acetic acid using 2-(morpholinosulfonyl)benzaldehyde in the general procedure X (step 1). 1H NMR (CDCl3/400 MHz) δ (ppm) 7.95 (d, 1H), 7.52 (t, 1H), 7.37-7.24 (m, 5H), 7.19-7.15 (m, 2H), 7.08-7.04 (m, 3H), 6.95-6.91 (m, 2H), 4.65 (s, 2H), 4.23 (s, 2H), 3.52 (t, 4H), 3.02 (t, 4H), 2.09 (s, 3H). MS m/z: 531.35 (M+1).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-727e3a2dc34a49ab8d70de40b14a2cfe
来源数据集: uspto-grants-2014_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08674115B2
来源说明: uspto-grants-2014_03

反应 SMILES

[CH3:1][C:2]1[N:3]([CH2:35][C:36]([OH:38])=[O:37])[C:4]([C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)=[C:5]([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[C:6]=1[CH2:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[S:14](C1C=CC=CC=1)(=[O:16])=[O:15].[O:39]1[CH2:44][CH2:43][N:42](S(C2C=CC=CC=2C=O)(=O)=O)[CH2:41][CH2:40]1>>[CH3:1][C:2]1[N:3]([CH2:35][C:36]([OH:38])=[O:37])[C:4]([C:29]2[CH:30]=[CH:31][CH:32]=[CH:33][CH:34]=2)=[C:5]([C:23]2[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=2)[C:6]=1[CH2:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[S:14]([N:42]1[CH2:43][CH2:44][O:39][CH2:40][CH2:41]1)(=[O:16])=[O:15]