HRID1236454

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID11320987

3,3,3-Trifluoro-2-methylpropanoic acid

C4H5F3O2

结构：Cn1c(Nc2cc(CN)ccc2C(F)(F)F)nc2cc(Cl)c(N3CCC(C(F)(F)F)CC3)cc21

HCID86674346

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)NCc1ccc(C(F)(F)F)c(Nc2nc3cc(Cl)c(N4CCC(C(F)(F)F)CC4)cc3n2C)c1)C(F)(F)F

HCID86674347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c9d4ed8528d4f9aaa3837be68df4186
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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