HRID689988

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID498716

未命名化合物

HCID723833

4-(N-Boc-amino)piperidine

C10H20N2O2

HCID19698639

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1

HCID19381052

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2b9e8ff029349a3b4b7c83e4704bf2c
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:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[NH:26][CH:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1.[C:33]([BH3-:34])#[N:35].[CH3:39][OH:40].[CH3:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46].[CH3:47][C:48](=[O:49])[CH3:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl:1][c:2]1[cH:3][c:4]2[c:13]([cH:14][cH:15]1)[CH:12]1[c:11]3[c:6]([cH:7][cH:8][cH:9][cH:10]3)[C:5]2([CH:17]=[O:18])[CH2:16]1.[Na+:36].[Na+:38].[OH-:37]>>[Cl:1][c:2]1[cH:3][c:4]2[c:13]([cH:14][cH:15]1)[CH:12]1[c:11]3[c:6]([cH:7][cH:8][cH:9][cH:10]3)[C:5]2([CH2:17][N:30]2[CH2:29][CH2:28][CH:27]([NH:26][C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:25])[CH2:32][CH2:31]2)[CH2:16]1