HRID2132955

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID5046859

未命名化合物

HCID57516605

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(C(=O)N1CCC(F)(C#N)C1)C(C)(C)C

HCID178453788

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc0c28bc687c458080c614f529aaabd9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1](#[N:2])[C:3]1([F:15])[CH2:4][N:5]([C:8]([O:10][C:9]([CH3:11])([CH3:12])[CH3:13])=[O:14])[CH2:6][CH2:7]1.[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28](=[O:29])[NH:30][CH:31]([C:32]([OH:33])=[O:34])[C:35]([CH3:36])([CH3:37])[CH3:38].[CH:73]([N:74]([CH2:75][CH3:76])[CH:77]([CH3:78])[CH3:79])([CH3:80])[CH3:81].[Cl:82][CH2:83][Cl:84].[F:16][C:17]([F:18])([F:19])[C:20]([OH:21])=[O:22].[O:85]=[CH:86][N:87]([CH3:88])[CH3:89].[OH:39][n:40]1[c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[n:47][n:48]1.[P-:49]([F:50])([F:51])([F:52])([F:53])([F:54])[F:55].[n:56]1([O:57][C:58]([N:59]([CH3:60])[CH3:61])=[N+:62]([CH3:63])[CH3:64])[c:65]2[n:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[C:1](#[N:2])[C:3]1([F:15])[CH2:4][N:5]([C:8](=[O:10])[CH:31]([NH:30][C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:29])[C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:6][CH2:7]1