HRID284757

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID96623

Acetyl chloride, methoxy-

C3H5ClO2

反应SMILES：COC(=O)Oc1cc(Nc2ncnc3cc(N)c(OC)cc23)c(F)cc1C

HCID10666968

未命名化合物

PRODUCTS

产物

反应SMILES：COCC(=O)Nc1cc2ncnc(Nc3cc(OC(=O)OC)c(C)cc3F)c2cc1OC

HCID10789425

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-78527dcbea904de69b67ce5d68eb4076
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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