HRID1207296

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9966

4-(Trifluoromethyl)benzoic acid

C8H5F3O2

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID11108255

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(CC)Cc1ccc(OC)c(CNC(=O)c2ccc(C(F)(F)F)cc2)c1

HCID11004633

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f310edcd93b94dee9522d952137f520d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:21]([Cl:22])(=[O:23])[O:24][CH2:25][CH3:26].[CH2:28]([CH3:29])[CH:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[CH2:36][c:37]1[cH:38][c:39]([CH2:45][NH2:46])[c:40]([O:43][CH3:44])[cH:41][cH:42]1.[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[Cl:47][CH2:48][Cl:49].[ClH:27].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([C:10]([F:11])([F:12])[F:13])[cH:8][cH:9]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][c:7]([C:10]([F:11])([F:12])[F:13])[cH:8][cH:9]1)[NH:46][CH2:45][c:39]1[cH:38][c:37]([CH2:36][CH:30]([CH2:28][CH3:29])[C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:42][cH:41][c:40]1[O:43][CH3:44]