HRID671491

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)c1cccc(F)c1

HCID22261501

未命名化合物

PRODUCTS

生成物

结构：O=C(CCc1ccccc1)NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1cccc(F)c1

HCID22261551

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d1cf15cc9064115b24de73d04a768d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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