HRID213435

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

HCID119790

N2-Methyl-2,5-pyridinediamine

C6H9N3

HCID57431513

未命名化合物

PRODUCTS

生成物

结构：CNc1ccc(NC(=O)c2cc3cc(F)ccc3n2Cc2cccc(F)c2)cn1

HCID23725112

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d3e55d6e6dd466f9317b810b1078593
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([P:2](=[O:3])([O:4][CH2:5][CH3:6])[O:7][CH2:8][CH3:9])#[N:10].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[CH:48]([O:49][CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[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]([NH:39][CH3:40])[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]([NH:39][CH3:40])[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