HRID951437

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID2724942

未命名化合物

HCID3049031

Piperidine, 3-[3-(trifluoromethyl)phenyl]-

C12H14F3N

HCID56851422

6-(4-Formylphenoxy)pyridine-3-carboxamide

C13H10N2O3

PRODUCTS

生成物

结构：NC(=O)c1ccc(Oc2ccc(CN3CCCC(c4cccc(C(F)(F)F)c4)C3)cc2)nc1

HCID59730087

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6dea899f5c44a75bcd0272ef205e56b
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

[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[CH2:60]([Cl:61])[Cl:62].[CH3:50][C:51](=[O:52])[OH:53].[CH3:58][OH:59].[CH:18](=[O:19])[c:20]1[cH:21][cH:22][c:23]([O:24][c:25]2[n:26][cH:27][c:28]([C:29](=[O:30])[NH2:31])[cH:32][cH:33]2)[cH:34][cH:35]1.[Cl:54][CH2:55][CH2:56][Cl:57].[ClH:17].[F:1][C:2]([c:3]1[cH:4][c:5]([CH:9]2[CH2:10][NH:11][CH2:12][CH2:13][CH2:14]2)[cH:6][cH:7][cH:8]1)([F:15])[F:16].[Na+:49]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:9]2[CH2:10][N:11]([CH2:18][c:20]3[cH:21][cH:22][c:23]([O:24][c:25]4[n:26][cH:27][c:28]([C:29](=[O:30])[NH2:31])[cH:32][cH:33]4)[cH:34][cH:35]3)[CH2:12][CH2:13][CH2:14]2)[cH:6][cH:7][cH:8]1)([F:15])[F:16]