HRID207358

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID7413

Cyclohexanecarboxylic acid

C7H12O2

HCID21885

2-Dimethylaminopyridine

C7H10N2

结构：Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1

HCID2740668

4-[3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl]aniline

C11H7F6N3

PRODUCTS

生成物

结构：O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)C1CCCCC1

HCID10158140

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f5a36dfe3e341568169ef9ac7f3cc3b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:10]([Cl:11])[CH2:12][Cl:13].[CH3:34][N:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][n:41]1)[CH3:42].[Cl:43][CH2:44][Cl:45].[NH2:14][c:15]1[cH:16][cH:17][c:18](-[n:21]2[n:22][c:23]([C:30]([F:31])([F:32])[F:33])[cH:24][c:25]2[C:26]([F:27])([F:28])[F:29])[cH:19][cH:20]1.[OH:1][C:2](=[O:3])[CH:4]1[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9]1>>[C:2](=[O:3])([CH:4]1[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9]1)[NH:14][c:15]1[cH:16][cH:17][c:18](-[n:21]2[n:22][c:23]([C:30]([F:31])([F:32])[F:33])[cH:24][c:25]2[C:26]([F:27])([F:28])[F:29])[cH:19][cH:20]1