HRID816201

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

HCID413501

4-Piperidinoaniline

C11H16N2

结构：O=C(O)CC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1

HCID57875811

未命名化合物

PRODUCTS

生成物

结构：O=C(CC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)Nc1ccc(N2CCCCC2)cc1

HCID44231329

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a55f4dfb0f444f238c18f021ac0f5800
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

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