HRID671074

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID13290662

2-Amino-1-(2-fluorophenyl)ethan-1-one

C8H8FNO

HCID57421842

未命名化合物

PRODUCTS

生成物

结构：O=C(CNC(=O)C1CCN(C(=O)Oc2cccnc2)CC1)c1ccccc1F

HCID58270722

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f79a3286f3c340cfbcfe183fe9eefdc2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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