HRID1547429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

HCID69449

2-Chloro-4-methylquinoline

C10H8ClN

HCID81531

Diisopropylethylamine

C8H19N

HCID67444238

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(NC2CCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C2)nc2ccccc12

HCID67443626

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cdcb49cc0b6b467d81a1d907388df671
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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