HRID1568214

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID313215

5-methylpyrazin-2-amine

C5H7N3

HCID640792

1-Chloro-N,N,2-trimethylpropenylamine

C6H12ClN

结构：CC(COC(F)F)Oc1cc(OCc2ccccc2)cc(C(=O)O)c1

HCID72524173

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(NC(=O)c2cc(OCc3ccccc3)cc(OC(C)COC(F)F)c2)cn1

HCID72530739

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba2bb6cb61c442b4a888258c6c3d3b43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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