HRID2326458

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

结构：CC(NC(=O)c1ccc(Sc2ccc(NC(=O)OC(C)(C)C)cc2)c(N)c1)c1ccccc1

HCID67041065

未命名化合物

HCID86615565

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccc2c(Nc3cc(C(=O)NC(C)c4ccccc4)ccc3Sc3ccc(NC(=O)OC(C)(C)C)cc3)ncnc2c1

HCID67040886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc38779536ca43869694268078b56355
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:48][CH2:49][OH:50].[Cl:34][c:35]1[n:36][cH:37][n:38][c:39]2[cH:40][c:41]([CH:45]([CH3:46])[CH3:47])[cH:42][cH:43][c:44]12.[NH2:1][c:2]1[c:3]([S:19][c:20]2[cH:21][cH:22][c:23]([NH:26][C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[cH:24][cH:25]2)[cH:4][cH:5][c:6]([C:8]([NH:9][CH:10]([CH3:11])[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[O:18])[cH:7]1>>[NH:1]([c:2]1[c:3]([S:19][c:20]2[cH:21][cH:22][c:23]([NH:26][C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[cH:24][cH:25]2)[cH:4][cH:5][c:6]([C:8]([NH:9][CH:10]([CH3:11])[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[O:18])[cH:7]1)[c:35]1[n:36][cH:37][n:38][c:39]2[cH:40][c:41]([CH:45]([CH3:46])[CH3:47])[cH:42][cH:43][c:44]12