HRID1226365

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID14232

N-Methoxymethylamine

C2H7NO

2 次

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID23120519

2-Methyl-4'-(trifluoromethyl)[1,1'-biphenyl]-4-carboxylic acid

C15H11F3O2

PRODUCTS

生成物

结构：CON(C)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(C)c1

HCID86620362

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6bb3ea40157b4029a0bafa1497c14e46
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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