HRID932434

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

HCID519222

3-Fluoro-5-(trifluoromethyl)benzoic acid

C8H4F4O2

结构：O=C(NCC(=O)N1CCNCC1)c1ccc(-c2ccccc2)cc1

HCID57855677

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccc(-c2ccccc2)cc1

HCID57855657

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6606a1e6dd4346f1ade02df3bb1102eb
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation 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:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:45].[F:10][c:11]1[cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17][c:18]([C:20]([F:21])([F:22])[F:23])[cH:19]1.[O:46]=[C:47]([CH2:48][NH:49][C:50](=[O:51])[c:52]1[cH:53][cH:54][c:55](-[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:56][cH:57]1)[N:64]1[CH2:65][CH2:66][NH:67][CH2:68][CH2:69]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:75].[OH:24][n:25]1[c:26]2[c:27]([cH:28][cH:29][cH:30][cH:31]2)[n:32][n:33]1>>[F:10][c:11]1[cH:12][c:13]([C:14](=[O:16])[N:67]2[CH2:66][CH2:65][N:64]([C:47](=[O:46])[CH2:48][NH:49][C:50](=[O:51])[c:52]3[cH:53][cH:54][c:55](-[c:58]4[cH:59][cH:60][cH:61][cH:62][cH:63]4)[cH:56][cH:57]3)[CH2:69][CH2:68]2)[cH:17][c:18]([C:20]([F:21])([F:22])[F:23])[cH:19]1