HRID1228085

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID75938

Cyclohexanecarbonyl chloride

C7H11ClO

结构：NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1

HCID22261479

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)C1CCCCC1

HCID22261839

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64f90a4a732c4cd3a4c45acb69541591
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

[C:33](=[O:34])([O-:35])[OH:36].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[CH:24]1([C:30](=[O:31])[Cl:32])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1.[ClH:1].[F:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[NH2:22])[OH:23])[cH:7][cH:8]1.[Na+:37].[OH2:44]>>[F:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[NH:22][C:30]([CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)=[O:31])[OH:23])[cH:7][cH:8]1