HRID822167

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID43373548

未命名化合物

结构：N#Cc1cc(C(=O)O)c2cnn(-c3ccc(F)cc3)c2c1

HCID58138917

6-cyano-1-(4-fluoro-phenyl)-1H-indazole-4-carboxylic acid

C15H8FN3O2

PRODUCTS

生成物

结构：CN1CCC(NS(=O)(=O)c2ccc(CNC(=O)c3cc(C#N)cc4c3cnn4-c3ccc(F)cc3)cc2)CC1

HCID58138796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcafcddb16a846df98053e48ad322dbc
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:19](=[O:20])[OH:21])[c:6]2[cH:7][n:8][n:9](-[c:12]3[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]3)[c:10]2[cH:11]1.[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[CH3:87][CH2:88][O:89][C:90](=[O:91])[CH3:92].[NH2:62][CH2:63][c:64]1[cH:65][cH:66][c:67]([S:70](=[O:71])(=[O:72])[NH:73][CH:74]2[CH2:75][CH2:76][N:77]([CH3:80])[CH2:78][CH2:79]2)[cH:68][cH:69]1.[O:81]=[CH:82][N:83]([CH3:84])[CH3:85].[OH2:86].[P-:22]([F:23])([F:24])([F:25])([F:26])([F:27])[F:28].[n:29]1([O:30][P+:31]([N:32]2[CH2:33][CH2:34][CH2:35][CH2:36]2)([N:37]2[CH2:38][CH2:39][CH2:40][CH2:41]2)[N:42]2[CH2:43][CH2:44][CH2:45][CH2:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:19](=[O:21])[NH:62][CH2:63][c:64]2[cH:65][cH:66][c:67]([S:70](=[O:71])(=[O:72])[NH:73][CH:74]3[CH2:75][CH2:76][N:77]([CH3:80])[CH2:78][CH2:79]3)[cH:68][cH:69]2)[c:6]2[cH:7][n:8][n:9](-[c:12]3[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]3)[c:10]2[cH:11]1