HRID1560464

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID24290

未命名化合物

HCID83717

Copper iodide (CuI2)

CuI2

HCID178437079

未命名化合物

结构：COC(=O)CCC(NC(=O)c1ccc(I)cc1F)C(=O)OC

HCID178500520

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCC(NC(=O)c1ccc(C#Cc2cnc3nc(NC(=O)C(C)(C)C)nc(O)c3c2)cc1F)C(=O)OC

HCID178500515

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5349e6ec97cf447a9b22ef2e64aaf6e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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