HRID686811

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

结构：NC(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OCc1ccno1

HCID18758888

未命名化合物

结构：CC(C)c1nc(CN(C)C(=O)NC(C(=O)O)C(C)C)co1

HCID178440126

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2ccno2)C(C)C)co1

HCID18759062

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c57baa31bdd14a569ecba8ab10bbbd89
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:31][N:32]([CH2:33][c:34]1[n:35][c:36]([CH:39]([CH3:40])[CH3:41])[o:37][cH:38]1)[C:42](=[O:43])[NH:44][CH:45]([CH:46]([CH3:47])[CH3:48])[C:49](=[O:50])[OH:51].[CH3:52][OH:53].[Cl:54][CH2:55][Cl:56].[NH2:1][CH:2]([CH2:3][CH:4]([CH:5]([CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[NH:13][C:14](=[O:15])[O:16][CH2:17][c:18]1[cH:19][cH:20][n:21][o:22]1)[OH:23])[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[NH:1]([CH:2]([CH2:3][CH:4]([CH:5]([CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[NH:13][C:14](=[O:15])[O:16][CH2:17][c:18]1[cH:19][cH:20][n:21][o:22]1)[OH:23])[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[C:49]([CH:45]([NH:44][C:42]([N:32]([CH3:31])[CH2:33][c:34]1[n:35][c:36]([CH:39]([CH3:40])[CH3:41])[o:37][cH:38]1)=[O:43])[CH:46]([CH3:47])[CH3:48])=[O:50]