HRID829691

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID151916

5-Phenyl-3-isoxazolecarboxylic acid

C10H7NO3

结构：NCC(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1

HCID59559598

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1)c1cc(-c2ccccc2)on1

HCID25165324

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc2c256c728a49e48fc2584cc7e3c610
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44].[CH:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[ClH:45].[NH2:46][CH2:47][C:48](=[O:49])[N:50]1[CH2:51][CH2:52][N:53]([C:56]([c:57]2[c:58]([C:64]([F:65])([F:66])[F:67])[cH:59][cH:60][c:61]([F:63])[cH:62]2)=[O:68])[CH2:54][CH2:55]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:74].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1.[c:20]1(-[c:26]2[cH:27][c:28]([C:31](=[O:32])[OH:33])[n:29][o:30]2)[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[c:20]1(-[c:26]2[cH:27][c:28]([C:31](=[O:33])[NH:46][CH2:47][C:48](=[O:49])[N:50]3[CH2:51][CH2:52][N:53]([C:56]([c:57]4[c:58]([C:64]([F:65])([F:66])[F:67])[cH:59][cH:60][c:61]([F:63])[cH:62]4)=[O:68])[CH2:54][CH2:55]3)[n:29][o:30]2)[cH:21][cH:22][cH:23][cH:24][cH:25]1