HRID2338213

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7914

Isopropyl ether

C6H14O

HCID8471

Triethylamine

C6H15N

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID78642

N2,N2-Dimethylpyridine-2,5-diamine

C7H11N3

HCID57431513

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1ccc(NC(=O)c2cc3cc(F)ccc3n2Cc2cccc(F)c2)cn1

HCID24855800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3acb501381554adfa5578462b7542351
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([P:2](=[O:3])([O:4][CH2:5][CH3:6])[O:7][CH2:8][CH3:9])#[N:10].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH:49]([O:50][CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[F:11][c:12]1[cH:13][c:14]2[cH:15][c:16]([C:29](=[O:30])[OH:31])[n:17]([CH2:21][c:22]3[cH:23][c:24]([F:28])[cH:25][cH:26][cH:27]3)[c:18]2[cH:19][cH:20]1.[NH2:32][c:33]1[cH:34][n:35][c:36]([N:39]([CH3:40])[CH3:41])[cH:37][cH:38]1>>[F:11][c:12]1[cH:13][c:14]2[cH:15][c:16]([C:29](=[O:30])[NH:32][c:33]3[cH:34][n:35][c:36]([N:39]([CH3:40])[CH3:41])[cH:37][cH:38]3)[n:17]([CH2:21][c:22]3[cH:23][c:24]([F:28])[cH:25][cH:26][cH:27]3)[c:18]2[cH:19][cH:20]1