HRID212631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(=O)N1c2ccc(N)cc2C(C)(c2ccccc2)CC1(C)C

HCID2837084

未命名化合物

HCID4641409

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

C10H15N6O+

HCID10978062

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1c2ccc(NC(=O)c3ccccc3OC(=O)c3ccc(C)cc3)cc2C(C)(c2ccccc2)CC1(C)C

HCID17962916

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b66661647f24516ad4436b6d77a049e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:25]([CH3:26])(=[O:27])[N:28]1[C:29]([CH3:46])([CH3:47])[CH2:30][C:31]([CH3:39])([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:32]2[cH:33][c:34]([NH2:38])[cH:35][cH:36][c:37]21.[CH:67]([N:68]([CH2:69][CH3:70])[CH:71]([CH3:72])[CH3:73])([CH3:74])[CH3:75].[O:76]1[CH2:77][CH2:78][CH2:79][CH2:80]1.[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[c:48]1([CH3:66])[cH:49][cH:50][c:51]([C:54](=[O:55])[O:56][c:57]2[c:58]([C:59](=[O:60])[OH:61])[cH:62][cH:63][cH:64][cH:65]2)[cH:52][cH:53]1.[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>>[C:25]([CH3:26])(=[O:27])[N:28]1[C:29]([CH3:46])([CH3:47])[CH2:30][C:31]([CH3:39])([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:32]2[cH:33][c:34]([NH:38][C:59]([c:58]3[c:57]([O:56][C:54]([c:51]4[cH:50][cH:49][c:48]([CH3:66])[cH:53][cH:52]4)=[O:55])[cH:65][cH:64][cH:63][cH:62]3)=[O:60])[cH:35][cH:36][c:37]21