HRID135420

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID24813

Phosphoric trichloride

Cl3OP

HCID81531

Diisopropylethylamine

C8H19N

结构：Oc1nc(-c2ccnc(Cl)c2)c(-c2cccc(C(F)(F)F)c2)c2nncn12

HCID178517542

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1cccc(-c2c(-c3ccnc(Cl)c3)nc(Cl)n3cnnc23)c1

HCID22346603

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b86cc0625524fc7b1772b7c4db2bac0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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