HRID165497

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID53413024

1H-Pyrrolo[2,3-c]pyridine-7-carboxylic acid

C8H6N2O2

结构：CC(C)(C)c1ccc(CNCCc2cccc(OC(F)F)c2)cc1

HCID68576819

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(CN(CCc2cccc(OC(F)F)c2)C(=O)c2nccc3cc[nH]c23)cc1

HCID24760562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3a7bf815fb645e9abcb43e1373e9045
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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