HRID1123990

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID2780178

6-Chloroacetyl-1,4-benzodioxane

C10H9ClO3

HCID67315952

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2sc(C(=O)C3CCN(CC(=O)c4ccc5c(c4)OCCO5)CC3)nc12

HCID11999046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca41529f20af46cc88ba3cf9bc9848ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:20][CH2:21][C:22](=[O:23])[c:24]1[cH:25][c:26]2[c:27]([cH:32][cH:33]1)[O:28][CH2:29][CH2:30][O:31]2.[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[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][c:26]4[c:27]([cH:32][cH:33]3)[O:28][CH2:29][CH2:30][O:31]4)[CH2:18][CH2:19]1)[s:11]2