HRID294942

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID97268

Di-tert-butyl azodicarboxylate

C10H18N2O4

HCID20326520

未命名化合物

HCID59484860

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2cnc(-c3cccc(Cn4nc(-c5cccc(C#N)c5)ccc4=O)c3)nc2)CC1

HCID59484905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7117ad87b640459382195e88e038e998
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:16][N:17]1[CH2:18][CH2:19][N:20]([c:23]2[cH:24][n:25][c:26](-[c:29]3[cH:30][c:31]([CH2:35][OH:36])[cH:32][cH:33][cH:34]3)[n:27][cH:28]2)[CH2:21][CH2:22]1.[N:56]([C:57]([O:58][C:59]([CH3:60])([CH3:61])[CH3:62])=[O:63])=[N:64][C:65]([O:66][C:67]([CH3:68])([CH3:69])[CH3:70])=[O:71].[O:1]=[c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14][cH:15]2)[n:6][nH:7]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[O:1]=[c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14][cH:15]2)[n:6][n:7]1[CH2:35][c:31]1[cH:30][c:29](-[c:26]2[n:25][cH:24][c:23]([N:20]3[CH2:19][CH2:18][N:17]([CH3:16])[CH2:22][CH2:21]3)[cH:28][n:27]2)[cH:34][cH:33][cH:32]1