HRID88515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID53167

1-Methylpiperazine

C5H12N2

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(S(=O)(=O)OC(C(=O)OCc2ccccc2)c2ccccc2)cc1

HCID86618475

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(C(C(=O)OCc2ccccc2)c2ccccc2)CC1

HCID66648860

Phenylmethyl 4-methyl-α-phenyl-1-piperazineacetate

C20H24N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5d2f18bf3064f1aba03119f5603edb6
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

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