HRID211010

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

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+

HCID11105409

1-(pyridin-2-yl)cyclopropanamine

C8H10N2

HCID13505097

5-Bromo-2,4-dimethoxybenzoic acid

C9H9BrO4

PRODUCTS

生成物

结构：COc1cc(OC)c(C(=O)NC2(c3ccccn3)CC2)cc1Br

HCID67211543

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0347e072e5b4837aa8e6f7eac9ddbf1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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