HRID294934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID86804

Heptane, 3-(bromomethyl)-

C8H17Br

结构：CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OCC(CC)CCCC)cc3)nc(-c3ccc(O)cc3O)n2)cc1

HCID135563262

未命名化合物

PRODUCTS

生成物

结构：CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OCC(CC)CCCC)cc3)nc(-c3ccc(OCC(CC)CCCC)cc3O)n2)cc1

HCID135576265

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6783e2ebc1914d90bf3920433de04083
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

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