HRID288553

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

HCID2728863

tert-Butyl (((1,1-dimethylethoxy)carbonyl)oxy)carbamate

C10H19NO5

HCID18971727

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)ON(CC#Cc1cccc(C2=NC(c3ccccc3)CO2)c1F)C(=O)OC(C)(C)C

HCID18971713

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd661d15ef864e929e8aa957f1dbd76a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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