HRID114239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

结构：O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

HCID67814

Perfluorobutanesulfonyl fluoride

C4F10O2S

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)(O)C#Cc1cnc2c(c1)C1(COC(N)=N1)c1cc(O)ccc1O2

HCID67240967

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)C#Cc1cnc2c(c1)C1(COC(N)=N1)c1cc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1O2

HCID87323715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5572fbba3064e49b25c33b5e1755714
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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