HRID870237

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(CN(CC(=O)ON1C(=O)CCC1=O)CC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O

HCID4150925

Tri(N-succinimidyl) nitrilotriacetate

C18H18N4O12

结构：CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCOCCN)c2)C1

HCID67458308

未命名化合物

2 次

PRODUCTS

生成物

结构：CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)CN(CC(=O)NCCOCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)CC(=O)NCCOCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1

HCID86672361

未命名化合物

收率 11.6%

PROCEDURE

实验过程

Compound 213 was prepared following the procedure outlined in Example 168 using tris(2,5-dioxopyrrolidin-1-yl) 2,2′,2″-nitrilotriacetate (75 mg, 0.156 mmol) and N-(2-(2-(2-(2-aminoethoxy)ethoxy)ethoxy)ethyl)-3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzenesulfonamide (Compound 28, 254 mg, 0.467 mmol). Purification by preparative HPLC gave the title compound (32.0 mg) as the TFA salt. 1H-NMR (400 MHz, CD3OD): δ 7.88 (d, 3H), 7.75 (s, 3H), 7.63 (t, 3H), 7.54 (t, 6H), 6.82 (s, 3H), 4.84-4.75 (m, 6H), 4.48 (d, 3H), 3.86 (m, 3H), 3.85-3.37 (m, 54H), 3.14 (s, 9H), 3.02 (t, 6H). MS (m/z): 1777.07 [M+H]+.

WORKUP

后处理

customPurification by preparative HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ba8524eed5b40f1be3c4ea3c0f55245
来源数据集: uspto-grants-2015_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08969377B2
来源说明: uspto-grants-2015_03

反应 SMILES

[N:1]([CH2:24][C:25]([O:27]N1C(=O)CCC1=O)=O)([CH2:13][C:14]([O:16]N1C(=O)CCC1=O)=O)[CH2:2][C:3]([O:5]N1C(=O)CCC1=O)=O.[NH2:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][O:41][CH2:42][CH2:43][O:44][CH2:45][CH2:46][NH:47][S:48]([C:51]1[CH:56]=[CH:55][CH:54]=[C:53]([CH:57]2[C:66]3[C:61](=[C:62]([Cl:68])[CH:63]=[C:64]([Cl:67])[CH:65]=3)[CH2:60][N:59]([CH3:69])[CH2:58]2)[CH:52]=1)(=[O:50])=[O:49]>>[N:1]([CH2:2][C:3]([NH:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][O:41][CH2:42][CH2:43][O:44][CH2:45][CH2:46][NH:47][S:48]([C:51]1[CH:56]=[CH:55][CH:54]=[C:53]([CH:57]2[C:66]3[C:61](=[C:62]([Cl:68])[CH:63]=[C:64]([Cl:67])[CH:65]=3)[CH2:60][N:59]([CH3:69])[CH2:58]2)[CH:52]=1)(=[O:50])=[O:49])=[O:5])([CH2:13][C:14]([NH:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][O:41][CH2:42][CH2:43][O:44][CH2:45][CH2:46][NH:47][S:48]([C:51]1[CH:56]=[CH:55][CH:54]=[C:53]([CH:57]2[C:66]3[C:61](=[C:62]([Cl:68])[CH:63]=[C:64]([Cl:67])[CH:65]=3)[CH2:60][N:59]([CH3:69])[CH2:58]2)[CH:52]=1)(=[O:50])=[O:49])=[O:16])[CH2:24][C:25]([NH:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][O:41][CH2:42][CH2:43][O:44][CH2:45][CH2:46][NH:47][S:48]([C:51]1[CH:56]=[CH:55][CH:54]=[C:53]([CH:57]2[C:66]3[C:61](=[C:62]([Cl:68])[CH:63]=[C:64]([Cl:67])[CH:65]=3)[CH2:60][N:59]([CH3:69])[CH2:58]2)[CH:52]=1)(=[O:50])=[O:49])=[O:27]