HRID1571980

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

HCID76804

4-(Trifluoromethyl)benzylamine

C8H8F3N

HCID17830574

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC#N)cc1C(=O)NCc1ccc(C(F)(F)F)cc1

HCID17830578

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e8de68661674926ba6036ccf4fdff7f
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:1](#[N:2])[CH2:3][c:4]1[cH:5][cH:6][c:7]([O:13][CH3:14])[c:8]([C:9](=[O:10])[OH:11])[cH:12]1.[C:32]([P:33](=[O:34])([O:35][CH2:36][CH3:37])[O:38][CH2:39][CH3:40])#[N:41].[CH3:15][N:16]([CH3:17])[CH:18]=[O:19].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[F:20][C:21]([c:22]1[cH:23][cH:24][c:25]([CH2:26][NH2:27])[cH:28][cH:29]1)([F:30])[F:31].[OH2:42]>>[C:1](#[N:2])[CH2:3][c:4]1[cH:5][cH:6][c:7]([O:13][CH3:14])[c:8]([C:9](=[O:11])[NH:27][CH2:26][c:25]2[cH:24][cH:23][c:22]([C:21]([F:20])([F:30])[F:31])[cH:29][cH:28]2)[cH:12]1