HRID815575

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID33558

Azide

N3-

HCID81531

Diisopropylethylamine

C8H19N

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

HCID2724700

未命名化合物

结构：O=C(O)c1cn2nc(C(F)(F)c3nnc4ccc(Br)cn34)ccc2n1

HCID59233139

未命名化合物

PRODUCTS

生成物

结构：[N-]=[N+]=NC(=O)c1cn2nc(C(F)(F)c3nnc4ccc(Br)cn34)ccc2n1

HCID86639820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f2772c4a269405cb1006f14080d77f0
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

[Br:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([cH:7]1)[c:8]([C:11]([c:12]1[cH:13][cH:14][c:15]3[n:16]([n:17]1)[cH:18][c:19]([C:21](=[O:22])[OH:23])[n:20]3)([F:24])[F:25])[n:9][n:10]2.[CH2:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH:31]([CH3:32])[CH3:33])[CH3:34].[CH3:90][CH2:91][O:92][C:93]([CH3:94])=[O:95].[N-:36]=[N+:37]=[N-:38].[Na+:35].[O:85]=[CH:86][N:87]([CH3:88])[CH3:89].[OH:72][C:73]([CH2:74][C:75]([C:76](=[O:77])[OH:78])([CH2:79][C:80](=[O:81])[OH:82])[OH:83])=[O:84].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][P+:48]([N:49]2[CH2:50][CH2:51][CH2:52][CH2:53]2)([N:54]2[CH2:55][CH2:56][CH2:57][CH2:58]2)[N:59]2[CH2:60][CH2:61][CH2:62][CH2:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([cH:7]1)[c:8]([C:11]([c:12]1[cH:13][cH:14][c:15]3[n:16]([n:17]1)[cH:18][c:19]([C:21](=[O:22])[N:36]=[N+:37]=[N-:38])[n:20]3)([F:24])[F:25])[n:9][n:10]2