HRID213225

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID74102

2,4-Difluorobenzoic acid

C7H4F2O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1

HCID68414338

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f05482224e041858ff22e6cc8eede94
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH:12]([N:13]([CH2:14][CH3:15])[CH:16]([CH3:17])[CH3:18])([CH3:19])[CH3:20].[Cl:44][CH2:45][Cl:46].[F:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([F:11])[cH:10]1.[N:31]1([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1.[OH2:47].[OH:21][n:22]1[c:23]2[c:24]([cH:25][cH:26][cH:27][cH:28]2)[n:29][n:30]1>>[F:1][c:2]1[c:3]([C:4](=[O:6])[N:34]2[CH2:33][CH2:32][N:31]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH2:36][CH2:35]2)[cH:7][cH:8][c:9]([F:11])[cH:10]1