HRID1538944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

结构：CC(C)C(O)(c1ccc(-c2cccc(C(=O)NC3CC3)c2)cc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID18668572

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(O)(c1ccc(-c2cccc(C(=O)NC3CC3)c2)cc1)c1c[nH]cn1

HCID178450098

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6c4f8817d0e4a49b503a598dfaa37d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][c:9](-[c:13]3[cH:14][cH:15][c:16]([C:19]([CH:20]([CH3:21])[CH3:22])([c:23]4[n:24][cH:25][n:26]([C:28]([c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)([c:35]5[cH:36][cH:37][cH:38][cH:39][cH:40]5)[c:41]5[cH:42][cH:43][cH:44][cH:45][cH:46]5)[cH:27]4)[OH:47])[cH:17][cH:18]3)[cH:10][cH:11][cH:12]2)[CH2:2][CH2:3]1.[ClH:48].[n:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][c:9](-[c:13]3[cH:14][cH:15][c:16]([C:19]([CH:20]([CH3:21])[CH3:22])([c:23]4[n:24][cH:25][nH:26][cH:27]4)[OH:47])[cH:17][cH:18]3)[cH:10][cH:11][cH:12]2)[CH2:2][CH2:3]1