HRID298784

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID222963

2-Bromo-4,5-dimethoxybenzoic acid

C9H9BrO4

HCID4641409

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

C10H15N6O+

HCID59190841

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Br)c(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CN(C)CC4)c2)cc1OC

HCID59190769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc5196b24230439686a71e219577fbb7
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:56][c:57]1[c:58]([C:59](=[O:60])[OH:61])[cH:62][c:63]([O:68][CH3:69])[c:64]([O:66][CH3:67])[cH:65]1.[CH3:25][N:26]1[CH2:27][CH2:28][O:29][CH2:30][CH2:31]1.[CH3:3][N:4]1[CH2:5][c:6]2[cH:7][c:8]([NH:14][C:15](=[O:16])[c:17]3[cH:18][c:19]([CH2:20][NH2:21])[cH:22][cH:23][cH:24]3)[cH:9][cH:10][c:11]2[CH2:12][CH2:13]1.[ClH:1].[ClH:2].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[CH3:3][N:4]1[CH2:5][c:6]2[cH:7][c:8]([NH:14][C:15](=[O:16])[c:17]3[cH:18][c:19]([CH2:20][NH:21][C:59]([c:58]4[c:57]([Br:56])[cH:65][c:64]([O:66][CH3:67])[c:63]([O:68][CH3:69])[cH:62]4)=[O:60])[cH:22][cH:23][cH:24]3)[cH:9][cH:10][c:11]2[CH2:12][CH2:13]1