HRID1142883

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

HCID4641409

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

C10H15N6O+

结构：Cc1cn(-c2cc(C(=O)O)cc(C(F)(F)F)c2)cn1

HCID46900241

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid

C12H9F3N2O2

结构：Nc1cccc(NC(=O)Nc2ccc3c(c2)NC(=O)C3)c1

HCID59804327

未命名化合物

PRODUCTS

生成物

结构：Cc1cn(-c2cc(C(=O)Nc3cccc(NC(=O)Nc4ccc5c(c4)NC(=O)C5)c3)cc(C(F)(F)F)c2)cn1

HCID59804303

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d61ae6ff1ab4b8d8baa04d304387cb1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:22][c:23]1[n:24][cH:25][n:26](-[c:28]2[cH:29][c:30]([C:31](=[O:32])[OH:33])[cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]2)[cH:27]1.[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[NH2:1][c:2]1[cH:3][c:4]([NH:8][C:9](=[O:10])[NH:11][c:12]2[cH:13][cH:14][c:15]3[c:19]([cH:20]2)[NH:18][C:17](=[O:21])[CH2:16]3)[cH:5][cH:6][cH:7]1.[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[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:1]([c:2]1[cH:3][c:4]([NH:8][C:9](=[O:10])[NH:11][c:12]2[cH:13][cH:14][c:15]3[c:19]([cH:20]2)[NH:18][C:17](=[O:21])[CH2:16]3)[cH:5][cH:6][cH:7]1)[C:31]([c:30]1[cH:29][c:28](-[n:26]2[cH:25][n:24][c:23]([CH3:22])[cH:27]2)[cH:36][c:35]([C:37]([F:38])([F:39])[F:40])[cH:34]1)=[O:32]