HRID663917

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID67607

Benzoyl chloride, 4-(trifluoromethyl)-

C8H4ClF3O

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

HCID22261479

未命名化合物

PRODUCTS

生成物

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

HCID22262142

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3a47106f1fa40c39d7a5410e93ddcdc
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:37](=[O:38])([O-:39])[OH:40].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[ClH:1].[F:24][C:25]([c:26]1[cH:27][cH:28][c:29]([C:30](=[O:31])[Cl:32])[cH:33][cH:34]1)([F:35])[F:36].[F:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[NH2:22])[OH:23])[cH:7][cH:8]1.[Na+:41].[OH2:48]>>[F:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[NH:22][C:30]([c:29]2[cH:28][cH:27][c:26]([C:25]([F:24])([F:35])[F:36])[cH:34][cH:33]2)=[O:31])[OH:23])[cH:7][cH:8]1