HRID198418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15413

Methyl tert-butyl ether

C5H12O

HCID166653

Hydride

H-

HCID23091621

未命名化合物

HCID86601897

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCC(Oc2ccc(C3(CN(C)C)CCOCC3)cc2)CC1

HCID11581289

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-446d6adbad2f4ebab7e7b24b0a6b647e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:39]([O:40][CH3:41])([CH3:42])([CH3:43])[CH3:44].[CH3:1][N:2]([CH3:3])[CH2:4][C:5]1([c:11]2[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]2)[CH2:6][CH2:7][O:8][CH2:9][CH2:10]1.[CH:20]([CH3:21])([CH3:22])[N:23]1[CH2:24][CH2:25][CH:26]([O:29][S:30]([CH3:31])(=[O:32])=[O:33])[CH2:27][CH2:28]1.[H-:19].[Na+:18].[Na+:47].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[OH-:46].[OH2:45]>>[CH3:1][N:2]([CH3:3])[CH2:4][C:5]1([c:11]2[cH:12][cH:13][c:14]([O:17][CH:26]3[CH2:25][CH2:24][N:23]([CH:20]([CH3:21])[CH3:22])[CH2:28][CH2:27]3)[cH:15][cH:16]2)[CH2:6][CH2:7][O:8][CH2:9][CH2:10]1