HRID175978

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

HCID22261918

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC(NC(=O)c2cccc3ccccc23)C(O)c2ccc(F)cc2)cc1

HCID22261663

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7fa8c05c21ce4f34926f3b05f8119113
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

[C:34](=[O:35])([O-:36])[OH:37].[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([F:11])[cH:9][cH:10]1)[CH2:12][c:13]1[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]1.[Na+:38].[OH2:45].[c:21]1([C:31](=[O:32])[Cl:33])[cH:22][cH:23][cH:24][c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]12>>[NH:1]([CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([F:11])[cH:9][cH:10]1)[CH2:12][c:13]1[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]1)[C:31]([c:21]1[cH:22][cH:23][cH:24][c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]12)=[O:32]