HRID1539775

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7407

alpha-Methylstyrene

C9H10

HCID8857

Ethyl acetate

C4H8O2

结构：Cc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(O)cc3O)n2)c(C)c1

HCID74276

4-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-1,3-benzenediol

C25H23N3O2

HCID104727

Aluminum Cation

Al+3

HCID3260420

未命名化合物

3 次

PRODUCTS

生成物

结构：Cc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3cc(C(C)(C)c4ccccc4)c(O)cc3O)n2)c(C)c1

HCID135843603

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2bd6f6cccc914491ad044a33fcf8c033
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+3:35].[CH3:31][CH:32]([CH3:33])[O-:34].[CH3:36][CH:37]([CH3:38])[O-:39].[CH3:40][CH:41]([CH3:42])[O-:43].[CH3:44][C:45](=[CH2:46])[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[OH:1][c:2]1[c:3](-[c:9]2[n:10][c:11](-[c:23]3[c:24]([CH3:30])[cH:25][c:26]([CH3:29])[cH:27][cH:28]3)[n:12][c:13](-[c:15]3[c:16]([CH3:22])[cH:17][c:18]([CH3:21])[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:23]3[c:24]([CH3:30])[cH:25][c:26]([CH3:29])[cH:27][cH:28]3)[n:12][c:13](-[c:15]3[c:16]([CH3:22])[cH:17][c:18]([CH3:21])[cH:19][cH:20]3)[n:14]2)[cH:4][c:5]([C:45]([CH3:44])([CH3:46])[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:6]([OH:8])[cH:7]1