HRID1234319

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID7301

2-Methyltetrahydrofuran

C5H10O

HCID8857

Ethyl Acetate

C4H8O2

HCID60795

Aripiprazole

C23H27Cl2N3O2

HCID166653

Hydride

H-

HCID14320655

未命名化合物

PRODUCTS

产物

HCID66815335

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6616b781de8b4897b26522357f00f77a
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:33]([O:34][CH:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[Cl:42])(=[O:43])[Cl:44].[CH3:45][CH:46]1[CH2:47][CH2:48][CH2:49][O:50]1.[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]([N:7]2[CH2:8][CH2:9][N:10]([CH2:11][CH2:12][CH2:13][CH2:14][O:15][c:16]3[cH:17][cH:18][c:19]4[c:25]([cH:26]3)[NH:24][C:22](=[O:23])[CH2:21][CH2:20]4)[CH2:27][CH2:28]2)[c:29]1[Cl:30].[H-:32].[Na+:31]>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]([N:7]2[CH2:8][CH2:9][N:10]([CH2:11][CH2:12][CH2:13][CH2:14][O:15][c:16]3[cH:17][cH:18][c:19]4[c:25]([cH:26]3)[N:24]([C:33]([O:34][CH:35]([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[Cl:42])=[O:43])[C:22](=[O:23])[CH2:21][CH2:20]4)[CH2:27][CH2:28]2)[c:29]1[Cl:30]