HRID2313878

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6344

Dichloromethane

CH2Cl2

反应SMILES：FC(F)(F)c1nnc2ccc(N3CCNCC3)nn12

HCID1476862

未命名化合物

HCID2771821

tert-Butyl (4-formylphenyl)carbamate

C12H15NO3

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)Nc1ccc(CN2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1

HCID67339893

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5168c4b17aa84d2cbda33b4481a60939
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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