HRID93734

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+

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID7525

N-Ethylmorpholine

C6H13NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID4154053

未命名化合物

HCID5224207

1-[2-Chloro-3-(trifluoromethyl)phenyl]methanamine

C8H7ClF3N

PRODUCTS

生成物

结构：CC(C)N1C(=O)CCC1C(=O)NCc1cccc(C(F)(F)F)c1Cl

HCID42641129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9db3ef087fb44208b3e0a205398d96aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:56](=[O:57])([O-:58])[OH:59].[CH2:35]([N:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1)[CH3:42].[CH3:14][N:15]([CH3:16])[CH2:17][CH2:18][CH2:19][N:20]=[C:21]=[N:22][CH2:23][CH3:24].[CH3:1][CH:2]([CH3:3])[N:4]1[CH:5]([C:6](=[O:7])[OH:8])[CH2:9][CH2:10][C:11]1=[O:12].[CH3:64][CH2:65][O:66][CH2:67][CH3:68].[Cl:43][c:44]1[c:45]([CH2:54][NH2:55])[cH:46][cH:47][cH:48][c:49]1[C:50]([F:51])([F:52])[F:53].[Cl:61][CH2:62][Cl:63].[ClH:13].[Na+:60].[OH:25][n:26]1[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1>>[CH3:1][CH:2]([CH3:3])[N:4]1[CH:5]([C:6](=[O:8])[NH:55][CH2:54][c:45]2[c:44]([Cl:43])[c:49]([C:50]([F:51])([F:52])[F:53])[cH:48][cH:47][cH:46]2)[CH2:9][CH2:10][C:11]1=[O:12]