HRID716544

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cn2cc(Br)sc2n1)c1ccccc1

HCID67241361

未命名化合物

结构：COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3cn4cc(NC(=O)[C@@H]5CCCN5C(=O)[C@H](NC(=O)OC(C)(C)C)c5ccccc5)nc4s3)cc2)[nH]1)C(C)C

HCID86678452

未命名化合物

结构：Brc1csc2c(-c3c[nH]c([C@@H]4CCCN4)n3)csc12

HCID178419471

未命名化合物

PRODUCTS

生成物

结构：COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2csc3c(Br)csc23)c[nH]1)C(C)C

HCID178502408

未命名化合物

PROCEDURE

实验过程

Compound 78 was synthesized from compound 77 (1.56 mmol) and compound 1 (1.64 mmol), following the procedure as described for compound 23 to give compound 78 in 82% yield. MS (ESI, EI+) m/z=513.2/515 (MH+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e99ab67f5b0e426e8899454339d241ac
来源数据集: uspto-grants-2015_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09187496B2
来源说明: uspto-grants-2015_11

反应 SMILES

[Br:1][C:2]1[C:6]2[S:7][CH:8]=[C:9]([C:10]3[N:11]=[C:12]([C@@H:15]4[CH2:19][CH2:18][CH2:17][NH:16]4)[NH:13][CH:14]=3)[C:5]=2[S:4][CH:3]=1.[CH3:20][O:21][C:22](=[O:79])[NH:23][C@H:24]([C:28](N1CCC[C@H]1C1NC(C2C=CC(C3SC4=NC(NC([C@@H]5CCCN5C(=O)[C@H](NC(OC(C)(C)C)=O)C5C=CC=CC=5)=O)=CN4C=3)=CC=2)=CN=1)=[O:29])[CH:25]([CH3:27])[CH3:26].C(OC(=O)N[C@@H](C1C=CC=CC=1)C(N1CCC[C@H]1C(=O)NC1N=C2N(C=1)C=C(Br)S2)=O)(C)(C)C>>[CH3:20][O:21][C:22](=[O:79])[NH:23][C@H:24]([C:28]([N:16]1[CH2:17][CH2:18][CH2:19][C@H:15]1[C:12]1[NH:13][CH:14]=[C:10]([C:9]2[C:5]3[S:4][CH:3]=[C:2]([Br:1])[C:6]=3[S:7][CH:8]=2)[N:11]=1)=[O:29])[CH:25]([CH3:27])[CH3:26]