HRID2124985

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID22227906

未命名化合物

HCID22228057

未命名化合物

PRODUCTS

生成物

结构：CCCCCCOc1ccc(NC(=O)c2cn(-c3ccc(F)cc3)nc2C)cc1C#N

HCID9866817

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20bbcfd1bcda4bea8d87173ed621a5d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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