HRID105413

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID598436

4-Fluoro-3-methoxybenzoic acid

C8H7FO3

HCID4641409

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

C10H15N6O+

HCID15296367

tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate

C14H26N2O2

PRODUCTS

生成物

结构：COc1cc(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)ccc1F

HCID67523793

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-852bd5a643b346d09a3c78115c07a7fa
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

[CH2:1]1[CH2:2][N:3]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:4][CH2:5][C:6]12[CH2:7][CH2:8][NH:9][CH2:10][CH2:11]2.[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[F:19][c:20]1[c:21]([O:29][CH3:30])[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28]1.[OH2:69].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[CH2:1]1[CH2:2][N:3]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:4][CH2:5][C:6]12[CH2:7][CH2:8][N:9]([C:24]([c:23]1[cH:22][c:21]([O:29][CH3:30])[c:20]([F:19])[cH:28][cH:27]1)=[O:25])[CH2:10][CH2:11]2