HRID321357

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID2764458

6-(Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one

C10H8ClNO3

HCID67315952

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2sc(C(=O)C3CCN(CC(=O)c4ccc5c(c4)NC(=O)CO5)CC3)nc12

HCID11999044

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57b8175823104cd4b2fc048df00fd125
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

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