HRID155547

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID22346222

未命名化合物

结构：CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C34OC4CC2(C)C1(O)C(=O)O

HCID178421782

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Oc1ccc(C(=O)OC2(C(=O)O)C(C)CC3C4CC(F)C5=CC(=O)C=CC5(C)C45OC5CC32C)o1

HCID178475425

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90468b5e2aac4355abcd46cde52ea1fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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