HRID687573

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4455752

[Bis(dimethylamino)methylidene]chloranium

C5H12ClN2+

HCID67321240

未命名化合物

结构：CC(C)CNC1CC(C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1

HCID178448811

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN(C(=O)c1nc2ccccn2c1CCc1ccccc1)C1CC(C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1

HCID178449420

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-051f8b755ab5499da98d0b0430abcdb9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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