HRID1224451

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl Acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID13041

Pentafluorophenol

C6HF5O

反应SMILES：COc1ccc(Cn2cc3c(N)c(C(=O)O)c(Cl)nc3n2)cc1

HCID18002494

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(Cn2cc3c(N)c(C(=O)Oc4c(F)c(F)c(F)c(F)c4F)c(Cl)nc3n2)cc1

HCID59108869

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4d7e1996039d4b748d0f019c249c5274
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[CH3:56][CH2:57][O:58][C:59]([CH3:60])=[O:61].[CH:36]1([N:37]=[C:38]=[N:39][CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1.[F:24][c:25]1[c:26]([F:35])[c:27]([F:34])[c:28]([F:33])[c:29]([F:32])[c:30]1[OH:31].[NH2:1][c:2]1[c:3]2[c:4]([n:5][c:6]([Cl:11])[c:7]1[C:8](=[O:9])[OH:10])[n:12][n:13]([CH2:15][c:16]1[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]1)[cH:14]2.[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][c:6]([Cl:11])[c:7]1[C:8]([O:9][c:30]1[c:25]([F:24])[c:26]([F:35])[c:27]([F:34])[c:28]([F:33])[c:29]1[F:32])=[O:10])[n:12][n:13]([CH2:15][c:16]1[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]1)[cH:14]2