HRID798910

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID424447

4-Chloro-2-methylpyrimidine

C5H5ClN2

结构：CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(B4OC(C)(C)C(C)(C)O4)c(C(F)(F)F)c3)nc2)CC1

HCID58447853

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)n4)c(C(F)(F)F)c3)nc2)CC1

HCID58447882

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2fbe25ecd5764a6397f5db192047b0b8
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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