HRID159464

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

结构：NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)c(F)c1

HCID22261782

未命名化合物

PRODUCTS

生成物

结构：O=C(CCc1ccccc1)NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)c(F)c1

HCID22262141

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4717d84e94d44c5aaa3e96287cb5291f
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:35](=[O:36])([O-:37])[OH:38].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][c:7]([F:12])[c:8]([F:11])[cH:9][cH:10]1)[CH2:13][c:14]1[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]1.[Na+:39].[OH2:46].[c:24]1([CH2:30][CH2:31][C:32](=[O:33])[Cl:34])[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[NH:1]([CH:2]([CH:3]([OH:4])[c:5]1[cH:6][c:7]([F:12])[c:8]([F:11])[cH:9][cH:10]1)[CH2:13][c:14]1[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]1)[C:32]([CH2:31][CH2:30][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)=[O:33]