HRID92521

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

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

HCID12248488

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccc(F)cc1Cl)C1CCC(=O)N1c1ccccc1

HCID42642486

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82906e9f83ae4cc1a6130a92d4b1f0c9
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

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