HRID88447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8502

4-Nitrobenzoyl chloride

C7H4ClNO3

HCID69026067

未命名化合物

PRODUCTS

产物

HCID69026237

N-{4-[4-(2-tert-Butyl-6-cyclobutyl-pyrimidin-4-yl)-piperazin-1-yl]-butyl}-4-nitro-benzamide

C27H38N6O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4263acd69f0f4e44920a8781978dba4c
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

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