HRID1550834

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

结构：CC(C)C(NC(=O)CNCC(=O)NCC(=O)c1ccc(Br)cc1)C(=O)O

HCID66620053

未命名化合物

PRODUCTS

生成物

结构：CC(C)C1NC(=O)CN(CC(=O)NCC(=O)c2ccc(Br)cc2)C1=O

HCID66620101

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa9910189211433ab63cb10e5a77b046
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:25][c:26]1[cH:27][cH:28][c:29]([C:32]([CH2:33][NH:34][C:35](=[O:36])[CH2:37][NH:38][CH2:39][C:40](=[O:41])[NH:42][CH:43]([C:44](=[O:45])[OH:46])[CH:47]([CH3:48])[CH3:49])=[O:50])[cH:30][cH:31]1.[CH3:51][N:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[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>>[Br:25][c:26]1[cH:27][cH:28][c:29]([C:32]([CH2:33][NH:34][C:35](=[O:36])[CH2:37][N:38]2[CH2:39][C:40](=[O:41])[NH:42][CH:43]([CH:47]([CH3:48])[CH3:49])[C:44]2=[O:45])=[O:50])[cH:30][cH:31]1