HRID189666

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

HCID1519405

tert-Butyl azetidin-3-ylcarbamate

C8H16N2O2

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

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1

HCID16221891

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1db72196fd554217a714c21f1a4e8c0f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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].[NH:54]1[CH2:55][CH:56]([NH:58][C:59]([O:60][C:61]([CH3:62])([CH3:63])[CH3:64])=[O:65])[CH2:57]1.[P-:21]([F:22])([F:23])([F:24])([F:25])([F:26])[F:27].[n:28]1([O:29][P+:30]([N:31]2[CH2:32][CH2:33][CH2:34][CH2:35]2)([N:36]2[CH2:37][CH2:38][CH2:39][CH2:40]2)[N:41]2[CH2:42][CH2:43][CH2:44][CH2:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]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:54]2[CH2:55][CH:56]([NH:58][C:59]([O:60][C:61]([CH3:62])([CH3:63])[CH3:64])=[O:65])[CH2:57]2)[cH:8][cH:9][c:10]1[F:11]