HRID2129205

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID68535

2-Butynoic acid

C4H4O2

反应SMILES：N#Cc1cnc2ccc(N)cc2c1Nc1cccc(C(F)(F)F)c1

HCID10131458

未命名化合物

PRODUCTS

产物

反应SMILES：CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2c1

HCID10135237

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-723fe8c30bcd409e81325a4b5876be62
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

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