HRID665640

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID24213769

4-Cyanopyridine-2-carboxylic acid

C7H4N2O2

结构：CC(C)(C)OC(=O)N1CCOC(c2ccc(N)c(F)c2)C1

HCID68325450

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCOC(c2ccc(NC(=O)c3cc(C#N)ccn3)c(F)c2)C1

HCID71086920

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4037dc1c2224ca08cea40a7a78a6a8c
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([c:14]2[cH:15][c:16]([F:21])[c:17]([NH2:20])[cH:18][cH:19]2)[O:11][CH2:12][CH2:13]1.[C:22](#[N:23])[c:24]1[cH:25][c:26]([C:30](=[O:31])[OH:32])[n:27][cH:28][cH:29]1.[CH3:57][N:58]1[CH2:59][CH2:60][O:61][CH2:62][CH2:63]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH2:69].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([c:14]2[cH:15][c:16]([F:21])[c:17]([NH:20][C:30]([c:26]3[cH:25][c:24]([C:22]#[N:23])[cH:29][cH:28][n:27]3)=[O:31])[cH:18][cH:19]2)[O:11][CH2:12][CH2:13]1