HRID2141781

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID2724902

(3-bromo-4-fluorophenyl)methanamine

C7H7BrFN

HCID4641409

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

C10H15N6O+

结构：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)CC(=O)O

HCID57819866

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)CC(=O)NCc1ccc(F)c(Br)c1

HCID57819933

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae4fc0b010c2483ca77b5c8dd77ded06
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

[Br:29][c:30]1[cH:31][c:32]([CH2:37][NH2:38])[cH:33][cH:34][c:35]1[F:36].[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:27][CH3:28])[c:10]([CH2:19][NH:20][C:21]([CH2:22][C:23](=[O:24])[OH:25])=[O:26])[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[Cl:70][CH2:71][Cl:72].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:27][CH3:28])[c:10]([CH2:19][NH:20][C:21]([CH2:22][C:23](=[O:24])[NH:38][CH2:37][c:32]1[cH:31][c:30]([Br:29])[c:35]([F:36])[cH:34][cH:33]1)=[O:26])[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1