HRID1139250

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID123063

1-(4-Fluorophenyl)ethan-1-amine

C8H10FN

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID24729768

1-[(tert-Butoxycarbonyl)amino]-4-oxocyclohexane-1-carboxylic acid

C12H19NO5

PRODUCTS

生成物

结构：CC(NC(=O)C1(NC(=O)OC(C)(C)C)CCC(=O)CC1)c1ccc(F)cc1

HCID67225326

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de7bd26a1835470ca70d98f985715861
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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