HRID1568509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

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+

HCID53433104

未命名化合物

HCID67975796

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(O)CC(Cc1ccc(Br)cc1)NC(=O)c1cn(O)nn1

HCID77440851

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b0a9d0001e147159b9a7c6bed5375b6
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

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