HRID1642578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：CCS(=O)(=O)c1cccc(-c2cnc(OC[C@@H](C)OC(=O)[C@H](C)N)c3[nH]c4ncc(C)cc4c23)c1

HCID16123544

未命名化合物

反应SMILES：CCS(=O)(=O)c1cccc(-c2ccc(OCCO)c3[nH]c4ncc(C)cc4c23)c1

HCID58880169

未命名化合物

PRODUCTS

产物

反应SMILES：CCS(=O)(=O)c1cccc(-c2ccc(OCCOC(=O)[C@H](C)N)c3[nH]c4ncc(C)cc4c23)c1

HCID58880193

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from Compound 215 by using an analogous procedure to that outlined in the preparation of Compound 64. 1H NMR (400 MHz, DMSO) δ ppm 1.18 (t, J=7.33 Hz, 3 H) 1.40 (d, J=7.33 Hz, 3 H) 2.27 (s, 3 H) 3.42 (q, J=7.33 Hz, 2 H) 4.20 (d, J=5.05 Hz, 1 H) 4.53 (t, J=4.42 Hz, 2 H) 4.58-4.69 (m, 2 H) 7.12 (d, J=8.08 Hz, 1 H) 7.23 (d, J=8.08 Hz, 1 H) 7.55 (s, 1 H) 7.87 (t, J=7.83 Hz, 1 H) 8.00 (dd, J=12.63, 7.58 Hz, 2 H) 8.08 (s, 1 H) 8.29 (s, 1 H) 8.33 (br. s., 2 H) 11.95 (s, 1 H) [M+H] calc'd for C25H27N3O5S, 482; found, 482.

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-62aa61dd877f4e9fb7454c0ce64575aa
来源数据集: uspto-grants-2012_02
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US08119655B2
来源说明: uspto-grants-2012_02

反应SMILES

[CH2:1]([S:3]([C:6]1[CH:7]=[C:8]([C:12]2[CH:20]=[CH:19][C:18]([O:21][CH2:22][CH2:23][OH:24])=[C:17]3[C:13]=2[C:14]2[CH:28]=[C:27]([CH3:29])[CH:26]=[N:25][C:15]=2[NH:16]3)[CH:9]=[CH:10][CH:11]=1)(=[O:5])=[O:4])[CH3:2].C(S(C1C=C(C2[C:46]3C4C=C(C)C=NC=4[NH:49][C:45]=3[C:44]([O:55]C[C@H](OC(=O)[C@H](C)N)C)=NC=2)C=CC=1)(=O)=O)C>>[CH2:1]([S:3]([C:6]1[CH:7]=[C:8]([C:12]2[CH:20]=[CH:19][C:18]([O:21][CH2:22][CH2:23][O:24][C:44](=[O:55])[C@@H:45]([NH2:49])[CH3:46])=[C:17]3[C:13]=2[C:14]2[CH:28]=[C:27]([CH3:29])[CH:26]=[N:25][C:15]=2[NH:16]3)[CH:9]=[CH:10][CH:11]=1)(=[O:5])=[O:4])[CH3:2]