HRID92302

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID21701506

未命名化合物

HCID57418681

未命名化合物

HCID57425536

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2ncc(=O)n(CC(=O)N(C)C(CN3CCOCC3)c3ccc(-c4ccccc4)cc3)c2cc1C

HCID57457146

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16a7ea42cd9b4f759362bc7f7b6fc115
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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