HRID92612

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID2736550

2-(1,4-diazepan-1-yl)ethanol

C7H16N2O

HCID67314297

未命名化合物

PRODUCTS

产物

HCID67314874

[5-(3-benzofuran-2-yl-phenyl)-1,4-dimethyl-1H-pyrazol-3-yl]-[4-(2-hydroxy-ethyl)-[1,4]diazepan-1-yl]-methanone

C27H30N4O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3dd7f0ef36f343599d49052207cfecda
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

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