HRID156527

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID596118

[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid

C7H7F3N2O2

结构：CN(C(=O)c1cccc(C2CCNCC2)n1)C1CCCc2ccccc21

HCID66687623

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2cccc(C(=O)N(C)C3CCCc4ccccc43)n2)CC1

HCID66686376

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-427d3aa2cfba493a86c1bc0992030275
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:16][N:17]([C:18](=[O:19])[c:20]1[cH:21][cH:22][cH:23][c:24]([CH:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[n:25]1)[CH:32]1[CH2:33][CH2:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]21.[CH3:1][c:2]1[cH:3][c:4]([C:11]([F:12])([F:13])[F:14])[n:5][n:6]1[CH2:7][C:8](=[O:9])[OH:10].[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[ClH:15].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[CH3:1][c:2]1[cH:3][c:4]([C:11]([F:12])([F:13])[F:14])[n:5][n:6]1[CH2:7][C:8](=[O:10])[N:29]1[CH2:28][CH2:27][CH:26]([c:24]2[cH:23][cH:22][cH:21][c:20]([C:18]([N:17]([CH3:16])[CH:32]3[CH2:33][CH2:34][CH2:35][c:36]4[cH:37][cH:38][cH:39][cH:40][c:41]43)=[O:19])[n:25]2)[CH2:31][CH2:30]1