HRID1211885

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1

HCID15601612

未命名化合物

结构：CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

HCID15608387

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1

HCID178453301

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f36c71dfc8f461083e0f6ec686f668c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH2:10][NH:11][C:12]([CH:13]([NH:14][C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)=[O:29])=[O:30].[CH3:31][N:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[Cl:38][c:39]1[c:40]([O:41][C:46]([CH:47]([NH:48][C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[CH2:56][c:57]2[cH:58][cH:59][c:60]([OH:63])[cH:61][cH:62]2)=[O:64])[c:42]([Cl:43])[c:44]([Cl:45])[c:65]([Cl:66])[c:67]1[Cl:68].[ClH:75]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH2:10][NH:11][C:12]([CH:13]([NH:14][C:46]([CH:47]([NH:48][C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[CH2:56][c:57]1[cH:58][cH:59][c:60]([OH:63])[cH:61][cH:62]1)=[O:64])[CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)=[O:29])=[O:30]