HRID121793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

结构：COc1cccc(-c2ccc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)cc2)c1

HCID18668662

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(-c2ccc(C(O)(c3c[nH]cn3)C(C)C)cc2)c1

HCID178489705

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-387f9f15e5124832a69d2bb5a70a6e6c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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