HRID199253

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID4641409

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

C10H15N6O+

结构：CC(C)(C)OC(=O)N1CCCC(NCc2c[nH]c3nccc(C(=O)O)c23)C1

HCID67224340

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC(N2Cc3c[nH]c4nccc(c34)C2=O)C1

HCID49841899

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ae286c1b4ba413c9c7e822cb2fa7b21
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

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