HRID675819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

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+

结构：C=Cc1ccccc1-c1ccc(C2(OC)CNC(C(=O)OC)C2)cc1

HCID67239006

未命名化合物

HCID75113126

未命名化合物

PRODUCTS

生成物

结构：C=CCCCCCOC(=O)NC(C(=O)N1CC(OC)(c2ccc(-c3ccccc3C=C)cc2)CC1C(=O)OC)C(C)(C)C

HCID72265429

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92ea6e2eea184f58af3f401b03f3f866
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

[CH2:50]([CH2:51][CH2:52][CH2:53][CH2:54][CH:55]=[CH2:56])[O:57][C:58](=[O:59])[NH:60][CH:61]([C:62](=[O:63])[OH:64])[C:65]([CH3:66])([CH3:67])[CH3:68].[CH3:25][O:26][C:27]1([c:36]2[cH:37][cH:38][c:39](-[c:42]3[c:43]([CH:48]=[CH2:49])[cH:44][cH:45][cH:46][cH:47]3)[cH:40][cH:41]2)[CH2:28][CH:29]([C:32](=[O:33])[O:34][CH3:35])[NH:30][CH2:31]1.[CH:69]([N:70]([CH2:71][CH3:72])[CH:73]([CH3:74])[CH3:75])([CH3:76])[CH3:77].[Cl:78][CH2:79][Cl:80].[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[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[CH3:25][O:26][C:27]1([c:36]2[cH:37][cH:38][c:39](-[c:42]3[c:43]([CH:48]=[CH2:49])[cH:44][cH:45][cH:46][cH:47]3)[cH:40][cH:41]2)[CH2:28][CH:29]([C:32](=[O:33])[O:34][CH3:35])[N:30]([C:62]([CH:61]([NH:60][C:58]([O:57][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH:55]=[CH2:56])=[O:59])[C:65]([CH3:66])([CH3:67])[CH3:68])=[O:63])[CH2:31]1