HRID85774

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID15656134

N2,N2-Dimethyl-2,3-pyridinediamine

C7H11N3

结构：O=C(c1cnccc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21

HCID53311781

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1ncccc1NC(=O)c1cnccc1Oc1cc(Cl)ccc1Cl

HCID67320131

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f52ce50b7db24fb7bc6a0e3de1b8e060
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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