HRID1118719

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID31275

1,4-Dioxane

C4H8O2

HCID75655

4-(4-Morpholino)aniline

C10H14N2O

HCID86643815

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2C)cc1OC

HCID68425754

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b5fa7ebe82745699d458d5d43bb339a
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

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