HRID286118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6329

Methylamine

CH5N

HCID8857

Ethyl acetate

C4H8O2

反应SMILES：C=CC(=O)N1CCN(C(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)c2ccc(CCC(=O)OCC)cc21

HCID18008933

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)CCc1ccc2c(c1)N(C(=O)CCN(C)C)CCN2C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)c(OC)c1

HCID18008948

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e9bcbec4dbeb45caa25ffa0745e3db24
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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