HRID195234

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID85570

Tosylate

C7H7O3S-

HCID166653

Hydride

H-

HCID3015987

4-Methyloctan-1-ol

C9H20O

HCID135585902

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCc1cnc(-c2ccc(OCCCC(C)CCCC)cc2)nc1

HCID14324630

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-826b120f04b242fe81e760d62e7b8dd2
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

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