HRID2150041

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID65522

2-Amino-4,6-dichloropyrimidine

C4H3Cl2N3

结构：O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1nsc2cc(O)ccc12

HCID136346628

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(Cl)cc(Oc2ccc3c(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)nsc3c2)n1

HCID86626625

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-247ccd81069c4ac68fdd6f912fc85385
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

[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[F:10][c:11]1[c:12]([C:30]([F:31])([F:32])[F:33])[cH:13][c:14]([NH:17][C:18](=[O:19])[c:20]2[n:21][s:22][c:23]3[c:24]2[cH:25][cH:26][c:27]([OH:29])[cH:28]3)[cH:15][cH:16]1.[K+:39].[K+:40].[K+:41].[NH2:1][c:2]1[n:3][c:4]([Cl:9])[cH:5][c:6]([Cl:8])[n:7]1.[OH2:55].[P:34]([O-:35])([O-:36])([O-:37])=[O:38]>>[NH2:1][c:2]1[n:3][c:4]([Cl:9])[cH:5][c:6]([O:29][c:27]2[cH:26][cH:25][c:24]3[c:20]([C:18]([NH:17][c:14]4[cH:13][c:12]([C:30]([F:31])([F:32])[F:33])[c:11]([F:10])[cH:16][cH:15]4)=[O:19])[n:21][s:22][c:23]3[cH:28]2)[n:7]1