HRID1568025

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID7075376

Imidazo[1,2-a]pyridine-6-carboxylic acid

C8H6N2O2

HCID10938827

未命名化合物

HCID23130606

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccc(Oc2cccc(F)c2)s1)c1ccc2nccn2c1

HCID58387866

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b959c6e68bfe4cccaf951ff7093175ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[F:13][c:14]1[cH:15][c:16]([O:17][c:18]2[cH:19][cH:20][c:21]([CH2:23][NH2:24])[s:22]2)[cH:25][cH:26][cH:27]1.[OH2:54].[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:1]1[cH:2][cH:3][n:4]2[c:5]1[cH:6][cH:7][c:8]([C:10](=[O:11])[OH:12])[cH:9]2.[n:35]1([P+:36]([N:37]([CH3:38])[CH3:39])([N:40]([CH3:41])[CH3:42])[N:43]([CH3:44])[CH3:45])[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[n:1]1[cH:2][cH:3][n:4]2[c:5]1[cH:6][cH:7][c:8]([C:10](=[O:12])[NH:24][CH2:23][c:21]1[cH:20][cH:19][c:18]([O:17][c:16]3[cH:15][c:14]([F:13])[cH:27][cH:26][cH:25]3)[s:22]1)[cH:9]2