HRID121323

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID11042597

3-(Piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one

C13H17N3O

HCID59554992

3-Methyl-4-oxo-2-phenyl-5-thiazolidineacetic acid

C12H13NO3S

PRODUCTS

生成物

结构：CN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1

HCID59555102

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cef96e196e8246689512e26760843b59
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

[CH3:1][N:2]1[CH:3]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[S:4][CH:5]([CH2:8][C:9](=[O:10])[OH:11])[C:6]1=[O:7].[CH3:80][C:81]#[N:82].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41].[NH:18]1[CH2:19][CH2:20][CH:21]([N:24]2[C:25](=[O:34])[NH:26][c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]3[CH2:33]2)[CH2:22][CH2:23]1.[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[P-:51]([F:52])([F:53])([F:54])([F:55])([F:56])[F:57].[n:58]1([O:59][C:60]([N:61]([CH3:62])[CH3:63])=[N+:64]([CH3:65])[CH3:66])[c:67]2[n:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1>>[CH3:1][N:2]1[CH:3]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[S:4][CH:5]([CH2:8][C:9](=[O:11])[N:18]2[CH2:19][CH2:20][CH:21]([N:24]3[C:25](=[O:34])[NH:26][c:27]4[cH:28][cH:29][cH:30][cH:31][c:32]4[CH2:33]3)[CH2:22][CH2:23]2)[C:6]1=[O:7]