HRID208072

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID194549

1-Phenyl-cyclopropylamine

C9H11N

HCID4641409

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

C10H15N6O+

结构：CNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3cccc(C(=O)O)c3)cn12

HCID59233681

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3cccc(C(=O)NC4(c5ccccc5)CC4)c3)cn12

HCID59233675

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-673897afad9040e984448ce76368ce59
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

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