HRID1116496

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

结构：COc1ccc(-c2ccc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)cc2)cc1OC

HCID18668659

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(C(O)(c3c[nH]cn3)C(C)C)cc2)cc1OC

HCID178488576

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06e7b9ca0669401bbb6baf2c25932143
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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