HRID112354

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID66765

2H-Benzimidazol-2-one, 5-amino-1,3-dihydro-

C7H7N3O

HCID130500

未命名化合物

HCID51342220

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1

HCID10157570

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ffa02c4ffad493db8d0b8c8a2564543
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

[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[CH2:8][CH2:9][N:10]([C:13]([C:14](=[O:15])[OH:16])=[O:17])[CH2:11][CH2:12]2)[cH:18][cH:19]1.[NH2:27][c:28]1[cH:29][c:30]2[c:31]([nH:32][c:33](=[O:35])[nH:34]2)[cH:36][cH:37]1.[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[CH2:8][CH2:9][N:10]([C:13]([C:14](=[O:16])[NH:27][c:28]3[cH:29][c:30]4[c:31]([nH:32][c:33](=[O:35])[nH:34]4)[cH:36][cH:37]3)=[O:17])[CH2:11][CH2:12]2)[cH:18][cH:19]1