HRID290142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID498716

未命名化合物

结构：Cc1nc2n(c(=O)c1C=CN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2

HCID86598985

未命名化合物

PRODUCTS

生成物

HCID5073

Risperidone

C23H27FN4O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f43dfb25e4040cc89a44b8d5a1a7032
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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