HRID683645

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID31275

1,4-Dioxane

C4H8O2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID4574913

未命名化合物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)C2CCNCC2)CC1

HCID10803972

Tert-butyl 4-(piperidine-4-carbonyl)piperazine-1-carboxylate

C15H27N3O3

HCID10998636

3-Fluoro-4-Iodopyridine

C5H3FIN

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)C2CCN(c3ccncc3F)CC2)CC1

HCID18432761

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6110a12524324d00adbbad9d664414b9
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

[C:9]([CH3:10])([CH3:11])([CH3:12])[O:13][C:14](=[O:15])[N:16]1[CH2:17][CH2:18][N:19]([C:22](=[O:23])[CH:24]2[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]2)[CH2:20][CH2:21]1.[CH3:30][C:31]([CH3:32])([O-:33])[CH3:34].[CH3:64][CH2:65][O:66][CH2:67][CH3:68].[F:1][c:2]1[cH:3][n:4][cH:5][cH:6][c:7]1[I:8].[Na+:35].[O:58]1[CH2:59][CH2:60][O:61][CH2:62][CH2:63]1.[c:36]1([CH3:37])[cH:38][cH:39][cH:40][cH:41][c:42]1[P:43]([c:44]1[cH:45][cH:46][cH:47][cH:48][c:49]1[CH3:50])[c:51]1[cH:52][cH:53][cH:54][cH:55][c:56]1[CH3:57]>>[F:1][c:2]1[cH:3][n:4][cH:5][cH:6][c:7]1[N:27]1[CH2:26][CH2:25][CH:24]([C:22]([N:19]2[CH2:18][CH2:17][N:16]([C:14]([O:13][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:15])[CH2:21][CH2:20]2)=[O:23])[CH2:29][CH2:28]1