HRID1125101

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID4778193

N-(4-Fluorophenyl)-4-piperidinamine

C11H15FN2

HCID11344187

2-(4-formylphenyl)acetic Acid

C9H8O3

PRODUCTS

生成物

结构：O=Cc1ccc(CC(=O)N2CCC(Nc3ccc(F)cc3)CC2)cc1

HCID25223895

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c68d3daf20ba4689b7781044716c1254
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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