HRID1215231

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID3776

Isopropanol

C3H8O

HCID6422

未命名化合物

HCID114942

Titanium(4+)

Ti+4

HCID498716

未命名化合物

HCID3260420

未命名化合物

4 次

HCID15431961

2-(Piperidin-4-yl)-2,3-dihydro-1H-isoindol-1-one

C13H16N2O

HCID25242058

未命名化合物

PRODUCTS

产物

反应SMILES：CCOc1cc(CN2CCC(N3Cc4ccccc4C3=O)CC2)ccc1C

HCID68506494

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-31612795ffaf493fb4de7d1f313a7125
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[C:36]([BH3-:37])#[N:38].[CH2:24]([CH3:25])[O:26][c:27]1[cH:28][c:29]([CH:30]=[O:31])[cH:32][cH:33][c:34]1[CH3:35].[CH3:44][CH:45]([CH3:46])[O-:47].[CH3:48][CH:49]([CH3:50])[O-:51].[CH3:52][CH:53]([CH3:54])[O-:55].[CH3:56][CH:57]([CH3:58])[O-:59].[CH:40]([OH:41])([CH3:42])[CH3:43].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH:8]1[CH2:9][CH2:10][CH:11]([N:14]2[C:15](=[O:23])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3[CH2:22]2)[CH2:12][CH2:13]1.[Na+:39].[Ti+4:60]>>[N:8]1([CH2:30][c:29]2[cH:28][c:27]([O:26][CH2:24][CH3:25])[c:34]([CH3:35])[cH:33][cH:32]2)[CH2:9][CH2:10][CH:11]([N:14]2[C:15](=[O:23])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3[CH2:22]2)[CH2:12][CH2:13]1