HRID184874

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6212

Chloroform

CHCl3

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID239820

4-(dimethylamino)butanoic acid

C6H13NO2

HCID4641409

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

C10H15N6O+

HCID22507697

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2COCCO2)c2sc(NC(=O)CCCN(C)C)nc12

HCID22507699

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60b8da5520c346eda32cc10154404333
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

[CH2:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH:40]([CH3:41])[CH3:42])[CH3:43].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:2][N:3]([CH2:4][CH2:5][CH2:6][C:7](=[O:8])[OH:9])[CH3:10].[Cl:67][CH:68]([Cl:69])[Cl:70].[ClH:1].[O:44]1[CH:45]([c:50]2[cH:51][cH:52][c:53]([O:60][CH3:61])[c:54]3[n:55][c:56]([NH2:59])[s:57][c:58]23)[CH2:46][O:47][CH2:48][CH2:49]1.[P-:11]([F:12])([F:13])([F:14])([F:15])([F:16])[F:17].[n:18]1([O:19][C:20]([N:21]([CH3:22])[CH3:23])=[N+:24]([CH3:25])[CH3:26])[c:27]2[n:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1>>[CH3:2][N:3]([CH2:4][CH2:5][CH2:6][C:7](=[O:8])[NH:59][c:56]1[n:55][c:54]2[c:53]([O:60][CH3:61])[cH:52][cH:51][c:50]([CH:45]3[O:44][CH2:49][CH2:48][O:47][CH2:46]3)[c:58]2[s:57]1)[CH3:10]