HRID312854

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID59000470

未命名化合物

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

HCID67487914

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)cn3)cc(OC(C)COC(F)F)c2)cn1

HCID143660583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-493f8f8341b34ff6a28c353e6b82eda9
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

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