HRID204971

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

结构：CS(=O)(=O)OC1CN(C(c2ccccc2)c2ccccc2)C1

HCID2758716

1-benzhydrylazetidin-3-yl methanesulfonate

C17H19NO3S

HCID7172020

Trifluoroacetylpiperazine

C6H9F3N2O

PRODUCTS

生成物

结构：O=C(N1CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)CC1)C(F)(F)F

HCID59625975

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-679142328dbc4a2aa9ca3dd30d602461
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

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