HRID2153868

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID7835

Epichlorohydrin

C3H5ClO

HCID19660

Carbonate

CO3-2

结构：COc1ccc(-c2cc(=Nc3ccc(O)cc3)n(C)c(=O)n2C)cc1OC

HCID14096495

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cc(=Nc3ccc(OCC4CO4)cc3)n(C)c(=O)n2C)cc1OC

HCID21243201

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a65aa2555fb54a81b25a979e6e3e1838
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

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