HRID1230828

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-

HCID130500

未命名化合物

HCID20373710

4-Methoxy-4-methylpiperidine

C7H15NO

结构：O=C(O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F

HCID24811740

2-Fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoic acid

C16H11FN2O3

PRODUCTS

生成物

结构：COC1(C)CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1

HCID57791836

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21280e96ca1f4bfc8fbc889d74c3d543
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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