HRID902795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8143

1-Octanamine

C8H19N

HCID69703

Acetyl chloride, phenoxy-

C8H7ClO2

HCID70136

4-(Chloromethyl)benzoyl chloride

C8H6Cl2O

HCID67420478

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCNC(=O)c1ccc(CN(Cc2ccc(O)c(C(=O)O)c2)C(=O)COc2ccccc2)cc1

HCID11341801

未命名化合物

PROCEDURE

实验过程

The title compound was prepared following the procedure A using octylamine, 4-(chloromethyl)benzoyl chloride, phenoxyacetyl chloride and 6-(aminomethyl)-2,2-dimethyl-4H-1,3-benzodioxin-4-one acetate. M+(ESI): 547.5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cdaf9ce7e31946e9be21d5107ae21098
来源数据集: uspto-grants-2008_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07365225B2
来源说明: uspto-grants-2008_04

反应 SMILES

[CH2:1]([NH2:9])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8].Cl[CH2:11][C:12]1[CH:20]=[CH:19][C:15]([C:16](Cl)=[O:17])=[CH:14][CH:13]=1.[O:21]([CH2:28][C:29](Cl)=[O:30])[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1.C(O)(=O)C.[NH2:36][CH2:37][C:38]1[CH:50]=[CH:49][C:41]2[O:42]C(C)(C)[O:44][C:45](=[O:46])[C:40]=2[CH:39]=1>>[OH:42][C:41]1[CH:49]=[CH:50][C:38]([CH2:37][N:36]([CH2:11][C:12]2[CH:20]=[CH:19][C:15]([C:16]([NH:9][CH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])=[O:17])=[CH:14][CH:13]=2)[C:29](=[O:30])[CH2:28][O:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)=[CH:39][C:40]=1[C:45]([OH:46])=[O:44]