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HRID2405509

反应详情

EQUATION

反应方程式

HRID 2405509 的结构方程式

REACTANTS

反应物

2
结构：C=C(C)[C@@H]1CC[C@]2(C(=O)NCC(C)N(CC)CCCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
HCID67775347

未命名化合物

结构：C=C(C)[C@@H]1CC[C@]2(C(=O)NCCN)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)OC)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
HCID67776312

未命名化合物

PRODUCTS

生成物

1
结构：C=C(C)[C@@H]1CC[C@]2(C(=O)NCCN(CC)CCCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
HCID67777334

未命名化合物

PROCEDURE

实验过程

The title compound was prepared following the method described above for 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(2-((3-carboxypropyl)(ethyl)amino)propylcarbamoyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acid (example 101) using methyl 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(2-aminoethylcarbamoyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoate as amine. The product was isolated as a white solid (3 mg, 25%). LCMS: m/e 715.45 (M+H)+, 2.06 min (method 1). 1H NMR (500 MHz, Acetic Acid-d4) δ ppm 8.03 (d, J=8.24 Hz, 2H), 7.30 (d, J=8.24 Hz, 2H), 5.37 (d, J=4.88 Hz, 1H), 4.78 (s, 1H), 4.65 (s, 1H), 3.88-3.68 (m, 2H), 3.49-3.34 (m, 4H), 3.34-3.27 (m, 2H), 3.19-3.06 (m, 1H), 2.67-2.49 (m, 3H), 2.23-2.15 (m, 2H), 1.74 (s, 3H), 1.38 (t, J=7.17 Hz, 3H), 2.04-1.09 (m, 21H), 1.08 (s, 3H), 1.06 (s, 3H), 1.05 (s, 3H), 1.01 (s, 3H), 0.99 (s, 3H).