HRID196588

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID7463

p-Cymene

C10H14

HCID15797

Octabenzone

C21H26O3

HCID3826051

未命名化合物

HCID15919022

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1Cc1cc(C)cc(-n2nc3ccccc3n2)c1O

HCID19917270

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64bda2c878d84de387377c703032327c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:48][CH:49]([c:50]1[cH:51][cH:52][c:53]([CH3:54])[cH:55][cH:56]1)[CH3:57].[CH3:58][O-:59].[Na+:60].[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][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47])[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][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47]