HRID169596

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID70146

1-Naphthalenecarbonyl chloride

C11H7ClO

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

HCID22261511

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)c1cccc2ccccc12)C(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1

HCID22262175

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2126671d70f843d1b8ce390f5c1ef94a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:37](=[O:38])([O-:39])[OH:40].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[NH:21][CH3:22])[OH:23])[cH:6][cH:7]1.[Na+:41].[OH2:48].[c:24]1([C:34](=[O:35])[Cl:36])[cH:25][cH:26][cH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]12>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[N:21]([CH3:22])[C:34]([c:24]2[cH:25][cH:26][cH:27][c:28]3[cH:29][cH:30][cH:31][cH:32][c:33]23)=[O:35])[OH:23])[cH:6][cH:7]1