HRID697460

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2755981

1-Boc-azetidine-3-carboxylic acid

C9H15NO4

HCID4641409

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

C10H15N6O+

HCID67330332

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(C(=O)Nc2cnn3ccc(N4CCCC4c4cc(F)ccc4Cl)nc23)C1

HCID67328786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aebdab1e7673480cbded873a8d488318
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29](=[O:30])[N:31]1[CH2:32][CH:33]([C:35](=[O:36])[OH:37])[CH2:34]1.[CH3:71][C:72]#[N:73].[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[Cl:1][c:2]1[c:3]([CH:9]2[N:10]([c:14]3[n:15][c:16]4[n:17]([cH:18][cH:19]3)[n:20][cH:21][c:22]4[NH2:23])[CH2:11][CH2:12][CH2:13]2)[cH:4][c:5]([F:8])[cH:6][cH:7]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[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[Cl:1][c:2]1[c:3]([CH:9]2[N:10]([c:14]3[n:15][c:16]4[n:17]([cH:18][cH:19]3)[n:20][cH:21][c:22]4[NH:23][C:35]([CH:33]3[CH2:32][N:31]([C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:30])[CH2:34]3)=[O:36])[CH2:11][CH2:12][CH2:13]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1