HRID161491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6342

Acetonitrile

C2H3N

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID21100237

2-(1-Methylethoxy)-5-(methylsulfonyl)benzoic acid

C11H14O5S

HCID53471483

2-(Trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C8H8F3N3

PRODUCTS

生成物

结构：CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCc2nc(C(F)(F)F)ncc2C1

HCID57445253

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c607a614fe01412f91c70bb5e6b47a6e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[B-:41]([F:42])([F:43])([F:44])[F:45].[CH3:63][C:64]#[N:65].[CH3:66][CH2:67][O:68][CH2:69][CH3:70].[CH:15]([CH3:16])([CH3:17])[O:18][c:19]1[c:20]([C:21](=[O:22])[OH:23])[cH:24][c:25]([S:28](=[O:29])(=[O:30])[CH3:31])[cH:26][cH:27]1.[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[F:1][C:2]([c:3]1[n:4][cH:5][c:6]2[c:7]([n:8]1)[CH2:9][CH2:10][NH:11][CH2:12]2)([F:13])[F:14].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[F:1][C:2]([c:3]1[n:4][cH:5][c:6]2[c:7]([n:8]1)[CH2:9][CH2:10][N:11]([C:21]([c:20]1[c:19]([O:18][CH:15]([CH3:16])[CH3:17])[cH:27][cH:26][c:25]([S:28](=[O:29])(=[O:30])[CH3:31])[cH:24]1)=[O:22])[CH2:12]2)([F:13])[F:14]