HRID2334560

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+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7525

N-Ethylmorpholine

C6H13NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID139909

2-Chloro-4-fluorobenzylamine

C7H7ClFN

HCID19002576

未命名化合物

PRODUCTS

生成物

HCID42642373

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00b28c2948f64cb4ad556001e13b44a4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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