HRID303639

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

HCID64801

Benzenepropanoyl chloride

C9H9ClO

HCID22262061

未命名化合物

PRODUCTS

生成物

结构：O=C(CCc1ccccc1)NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccoc1

HCID22262189

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-610c90deb0e446b29d61078f0fa71f76
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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