HRID2153615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID65522

2-Amino-4,6-dichloropyrimidine

C4H3Cl2N3

结构：CN1CCN(Cc2ccc(NC(=O)c3nsc4cc(O)ccc34)cc2C(F)(F)F)CC1

HCID136346629

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(Cc2ccc(NC(=O)c3nsc4cc(Oc5cc(Cl)nc(N)n5)ccc34)cc2C(F)(F)F)CC1

HCID86626626

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7fefdb0be7b44848a41d3d70953fa939
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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