HRID172805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID261892

Pyrrolidine, 2-phenyl-

C10H13N

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)oc2ccc(-c3cccc(C(=O)O)c3)cc12

HCID59275424

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)N4CCCC4c4ccccc4)c3)cc12

HCID59275266

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc5133d8b4e1436a84e229b0c86fddc6
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

[CH3:79][OH:80].[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[F:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[o:20][c:21]3[c:22]([c:23]2[C:24]([NH:25][CH3:26])=[O:27])[cH:28][c:29](-[c:32]2[cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39][cH:40]2)[cH:30][cH:31]3)[cH:17][cH:18]1.[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[c:1]1([CH:7]2[NH:8][CH2:9][CH2:10][CH2:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]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>>[c:1]1([CH:7]2[N:8]([C:35]([c:34]3[cH:33][c:32](-[c:29]4[cH:28][c:22]5[c:21]([o:20][c:19](-[c:16]6[cH:15][cH:14][c:13]([F:12])[cH:18][cH:17]6)[c:23]5[C:24]([NH:25][CH3:26])=[O:27])[cH:31][cH:30]4)[cH:40][cH:39][cH:38]3)=[O:36])[CH2:9][CH2:10][CH2:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1