HRID289857

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID2756031

未命名化合物

HCID58317610

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(Cl)nc(N2CCCCC2CNC(=O)OC(C)(C)C)nc1Nc1cccc(C)c1

HCID86654715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e12e53d80a54b02894667658ae62476
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

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