HRID688019

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

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

HCID2724700

未命名化合物

HCID22025663

3,4-Difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid

C13H7F3INO2

HCID67051628

未命名化合物

PRODUCTS

生成物

结构：Nc1nccc(C2(O)CN(C(=O)c3ccc(F)c(F)c3Nc3ccc(I)cc3F)C2)n1

HCID59469015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e5904c4645f45d0a73828a5cdf80492
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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