HRID307279

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7237

o-Xylene

C8H10

HCID7681

N,N-Dimethylbenzylamine

C9H13N

HCID17049

Butyl glycidyl ether

C7H14O2

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

PRODUCTS

生成物

结构：CCCCOCC(O)COc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1

HCID135601412

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bf8eda561bc45adb7f04ca0921a0205
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

[CH2:31]([CH:32]1[CH2:33][O:34]1)[O:35][CH2:36][CH2:37][CH2:38][CH3:39].[CH3:40][N:41]([CH3:42])[CH2:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]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][cH:5][c:6]([OH:8])[cH:7]1.[c:50]1([CH3:51])[c:52]([CH3:53])[cH:54][cH:55][cH:56][cH:57]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][cH:5][c:6]([O:8][CH2:33][CH:32]([CH2:31][O:35][CH2:36][CH2:37][CH2:38][CH3:39])[OH:34])[cH:7]1