HRID625461

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H]1CCCN1CCN(C)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1

HCID86705974

未命名化合物

结构：CCN(CC)c1ccc(NC(=O)c2cccc(C(=O)N(C)CC=O)c2)c(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1

HCID86705976

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)c1ccc(NC(=O)c2cccc(C(=O)N(C)CCN3CCC[C@H]3C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOC)c2)c(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1

HCID86705973

未命名化合物

PROCEDURE

实验过程

This compound was prepared according to the procedure described for the synthesis of N1-(2-((S)-2-(2,5,8,11,14,17,20,23-octaoxapentacosan-25-ylcarbamoyl)pyrrolidin-1-yl)ethyl)-N1-methyl-N3-(4-(piperidin-1-yl)-2-(4-(((S)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)pyridin-2-yl)phenyl)isophthalamide Example 195, using (S)—N1-(4-(diethylamino)-2-(4-((1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)pyridin-2-yl)phenyl)-N3-methyl-N3-(2-oxoethyl)isophthalamide in place of (S)—N1-methyl-N1-(2-oxoethyl)-N3-(4-(piperidin-1-yl)-2-(4-((1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)pyridin-2-yl)phenyl)isophthalamide. MS (ES, m/z): 1082.52 [M+H]+.

WORKUP

后处理

customThis compound was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f5359f478f94e55a72c3e9a2e56927e
来源数据集: uspto-grants-2016_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09301951B2
来源说明: uspto-grants-2016_04

反应 SMILES

[CH3:1][O:2][CH2:3][CH2:4][O:5][CH2:6][CH2:7][O:8][CH2:9][CH2:10][O:11][CH2:12][CH2:13][O:14][CH2:15][CH2:16][O:17][CH2:18][CH2:19][O:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][NH:26][C:27]([C@@H:29]1[CH2:33][CH2:32][CH2:31][N:30]1[CH2:34][CH2:35][N:36]([CH3:79])[C:37](=[O:78])[C:38]1[CH:77]=[CH:76][CH:75]=[C:40]([C:41]([NH:43][C:44]2[CH:49]=[CH:48][C:47]([N:50]3[CH2:55][CH2:54]C[CH2:52][CH2:51]3)=[CH:46][C:45]=2[C:56]2[CH:61]=[C:60]([C:62](=[O:74])[NH:63][C@@H:64]3[C:73]4[C:68](=[CH:69][CH:70]=[CH:71][CH:72]=4)[CH2:67][CH2:66][CH2:65]3)[CH:59]=[CH:58][N:57]=2)=[O:42])[CH:39]=1)=[O:28].C(N(CC)C1C=CC(NC(=O)C2C=CC=C(C(N(C)CC=O)=O)C=2)=C(C2C=C(C(=O)N[C@@H]3C4C(=CC=CC=4)CCC3)C=CN=2)C=1)C>>[CH3:1][O:2][CH2:3][CH2:4][O:5][CH2:6][CH2:7][O:8][CH2:9][CH2:10][O:11][CH2:12][CH2:13][O:14][CH2:15][CH2:16][O:17][CH2:18][CH2:19][O:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][NH:26][C:27]([C@@H:29]1[CH2:33][CH2:32][CH2:31][N:30]1[CH2:34][CH2:35][N:36]([CH3:79])[C:37](=[O:78])[C:38]1[CH:77]=[CH:76][CH:75]=[C:40]([C:41]([NH:43][C:44]2[CH:49]=[CH:48][C:47]([N:50]([CH2:55][CH3:54])[CH2:51][CH3:52])=[CH:46][C:45]=2[C:56]2[CH:61]=[C:60]([C:62](=[O:74])[NH:63][C@@H:64]3[C:73]4[C:68](=[CH:69][CH:70]=[CH:71][CH:72]=4)[CH2:67][CH2:66][CH2:65]3)[CH:59]=[CH:58][N:57]=2)=[O:42])[CH:39]=1)=[O:28]