HRID1545611

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7407

alpha-Methylstyrene

C9H10

HCID8900

Heptane

C7H16

HCID104727

Aluminum Cation

Al+3

HCID3260420

未命名化合物

3 次

结构：Oc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1

HCID135437125

未命名化合物

PRODUCTS

生成物

结构：CC(C)(c1ccccc1)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)cc1O

HCID135843602

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2b3f0b068f444a8b3610b0db7c4eaca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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