HRID2142646

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID17174422

未命名化合物

结构：CC(C)C(N)C(=O)N1CCC(O)(c2ccc(Cl)cc2)C(C)(C)C1

HCID67092498

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CNC(=O)Nc1cccc(C(=O)NC(C(=O)N2CCC(O)(c3ccc(Cl)cc3)C(C)(C)C2)C(C)C)c1

HCID76725482

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a963f64474c543de94429c0ed2c050eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:25]([CH3:26])[O:27][C:28]([CH2:29][NH:30][C:31]([NH:32][c:33]1[cH:34][c:35]([C:36](=[O:37])[OH:38])[cH:39][cH:40][cH:41]1)=[O:42])=[O:43].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[ClH:24].[NH2:1][CH:2]([C:3](=[O:4])[N:5]1[CH2:6][C:7]([CH3:19])([CH3:20])[C:8]([OH:11])([c:12]2[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[CH2:9][CH2:10]1)[CH:21]([CH3:22])[CH3:23].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:53]>>[NH:1]([CH:2]([C:3](=[O:4])[N:5]1[CH2:6][C:7]([CH3:19])([CH3:20])[C:8]([OH:11])([c:12]2[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[CH2:9][CH2:10]1)[CH:21]([CH3:22])[CH3:23])[C:36]([c:35]1[cH:34][c:33]([NH:32][C:31]([NH:30][CH2:29][C:28]([O:27][CH2:25][CH3:26])=[O:43])=[O:42])[cH:41][cH:40][cH:39]1)=[O:37]