HRID144776

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID4632

2-Hydroxy-4-methoxybenzophenone

C14H12O3

HCID3826051

未命名化合物

HCID15919022

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)c2ccccc2)c(O)c1Cc1cc(C)cc(-n2nc3ccccc3n2)c1O

HCID19917265

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70f0667097c54b2e922e6a2ef07f9ed9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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