HRID1233601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2423787

3-hydroxybenzotriazole-5-carboxylic acid

C7H5N3O3

HCID4641409

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

C10H15N6O+

HCID67975796

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(O)CC(Cc1ccc(Br)cc1)NC(=O)c1ccc2nnn(O)c2c1

HCID77440909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de0eb94bd2c1473da124b31c1ad498a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:47]([CH3:48])[O:49][C:50]([CH:51]([CH2:52][CH:53]([CH2:54][c:55]1[cH:56][cH:57][c:58]([Br:61])[cH:59][cH:60]1)[NH2:62])[OH:63])=[O:64].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[OH:25][n:26]1[n:27][n:28][c:29]2[c:30]1[cH:31][c:32]([C:35](=[O:36])[OH:37])[cH:33][cH:34]2.[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>>[OH:25][n:26]1[n:27][n:28][c:29]2[c:30]1[cH:31][c:32]([C:35](=[O:37])[NH:62][CH:53]([CH2:52][CH:51]([C:50]([O:49][CH2:47][CH3:48])=[O:64])[OH:63])[CH2:54][c:55]1[cH:56][cH:57][c:58]([Br:61])[cH:59][cH:60]1)[cH:33][cH:34]2