HRID700975

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID923

Sodium ion

Na+

HCID166653

Hydride

H-

HCID14168508

7-(Bromomethyl)quinoline

C10H8BrN

结构：COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2O)cc1

HCID15546933

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCc2ccc3cccnc3c2)cc1

HCID69486116

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4811877e7724b8ea191eb87c4978183
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

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