HRID306984

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID4641409

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

C10H15N6O+

HCID59127376

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)Cc2noc3cc(Br)ccc23)CC1

HCID58656475

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49d4dcdf46de4d29a11f69e2e15f79b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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