HRID1131624

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID88747

2-(Piperazin-1-yl)pyrimidine

C8H12N4

HCID4641409

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

C10H15N6O+

结构：COc1ccccc1-c1n[nH]c2ncc(-c3cccc(C(=O)O)c3)cc12

HCID178489390

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1n[nH]c2ncc(-c3cccc(C(=O)N4CCN(c5ncccn5)CC4)c3)cc12

HCID178489387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b62d06ef02a64f4c9b3248ee96f14f9e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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