HRID697956

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：Cc1ccc(C(=O)Nc2ccc(CN3CCN(CP(C)(C)=O)CC3)c(C(F)(F)F)c2)cc1C#C[Si](C)(C)C

HCID68911889

N-[4-({4-[(dimethylphosphoryl)methyl]piperazin-1-yl}methyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[(trimethylsilyl)ethynyl]benzamide

C28H37F3N3O2PSi

PRODUCTS

生成物

结构：C#Cc1cc(C(=O)Nc2ccc(CN3CCN(CP(C)(C)=O)CC3)c(C(F)(F)F)c2)ccc1C

HCID86632313

N-[4-({4-[(dimethylphosphoryl)methyl]piperazin-1-yl}methyl)-3-(trifluoromethyl)phenyl]-3-ethynyl-4-methylbenzamide

C25H29F3N3O2P

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88fa700bf6ba4f07a58ddb49c1e716f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:40]([N+:41]([CH2:42][CH2:43][CH2:44][CH3:45])([CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH3:56].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:1][P:2](=[O:3])([CH3:4])[CH2:5][N:6]1[CH2:7][CH2:8][N:9]([CH2:12][c:13]2[c:14]([C:35]([F:36])([F:37])[F:38])[cH:15][c:16]([NH:19][C:20]([c:21]3[cH:22][c:23]([C:28]#[C:29][Si:30]([CH3:31])([CH3:32])[CH3:33])[c:24]([CH3:27])[cH:25][cH:26]3)=[O:34])[cH:17][cH:18]2)[CH2:10][CH2:11]1.[F-:39]>>[CH3:1][P:2](=[O:3])([CH3:4])[CH2:5][N:6]1[CH2:7][CH2:8][N:9]([CH2:12][c:13]2[c:14]([C:35]([F:36])([F:37])[F:38])[cH:15][c:16]([NH:19][C:20]([c:21]3[cH:22][c:23]([C:28]#[CH:29])[c:24]([CH3:27])[cH:25][cH:26]3)=[O:34])[cH:17][cH:18]2)[CH2:10][CH2:11]1