HRID2141489

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

结构：CNC(=O)c1cncc(-c2ccc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)cc2)c1

HCID18668600

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cncc(-c2ccc(C(O)(c3c[nH]cn3)C(C)C)cc2)c1

HCID178485552

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7972655036824e0fb746a17fd0e0ad46
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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