HRID166719

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID268472

未命名化合物

HCID4641409

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

C10H15N6O+

HCID22607616

6-Bromoisoquinolin-1-amine

C9H7BrN2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1C(=O)Nc1nccc2cc(Br)ccc12

HCID66620523

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cd7a572d8144dad903ad2903143fa25
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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