HRID823349

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID58443040

未命名化合物

结构：NC(COc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1

HCID145705839

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(COc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1)c1cncn(Cc2ccc(F)c(F)c2)c1=O

HCID178523433

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-165b05b75f9c44e8bd6a2b4eabd92e63
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

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