HRID91882

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID88638

Benzimidazolone

C12H15N3O

HCID4641409

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

C10H15N6O+

HCID59555308

2-(4-Oxo-2-phenyl-3-((pyridin-4-yl)methyl)thiazolidin-5-yl)acetic acid

C17H16N2O3S

PRODUCTS

产物

HCID59555079

1-(1-(2-(4-Oxo-2-phenyl-3-((pyridin-4-yl)methyl)thiazolidin-5-yl)acetyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one

C29H29N5O3S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e4274d0318c34254a0771594fae9e09d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[CH3:78][C:79]#[N:80].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[NH:24]1[CH2:25][CH2:26][CH:27]([n:30]2[c:31](=[O:39])[nH:32][c:33]3[c:34]2[cH:35][cH:36][cH:37][cH:38]3)[CH2:28][CH2:29]1.[O:1]=[C:2]1[N:3]([CH2:17][c:18]2[cH:19][cH:20][n:21][cH:22][cH:23]2)[CH:4]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[S:5][CH:6]1[CH2:7][C:8](=[O:9])[OH:10].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[P-:49]([F:50])([F:51])([F:52])([F:53])([F:54])[F:55].[n:56]1([O:57][C:58]([N:59]([CH3:60])[CH3:61])=[N+:62]([CH3:63])[CH3:64])[c:65]2[n:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[O:1]=[C:2]1[N:3]([CH2:17][c:18]2[cH:19][cH:20][n:21][cH:22][cH:23]2)[CH:4]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[S:5][CH:6]1[CH2:7][C:8](=[O:9])[N:24]1[CH2:25][CH2:26][CH:27]([n:30]2[c:31](=[O:39])[nH:32][c:33]3[c:34]2[cH:35][cH:36][cH:37][cH:38]3)[CH2:28][CH2:29]1