HRID1145343

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2733180

未命名化合物

HCID24729638

未命名化合物

结构：CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)O)cc3)oc12

HCID57369945

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(NC(=O)c1ccc(-c2nc3cc(C#N)cc(C(C)C)c3o2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1

HCID68744285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df22066a7cbe4270a2fed862cc287c86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:50][P+:51]([N:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1)([N:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1)[N:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1.[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH:21]([CH3:22])[CH3:23])[c:6]2[c:7]([n:8][c:9](-[c:11]3[cH:12][cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][cH:19]3)[o:10]2)[cH:20]1.[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29](=[O:30])[N:31]1[CH2:32][CH2:33][CH:34]([CH:37]([C:38](=[O:39])[O:40][CH3:41])[NH2:42])[CH2:35][CH2:36]1.[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[CH:67]([N:68]([CH2:69][CH3:70])[CH:71]([CH3:72])[CH3:73])([CH3:74])[CH3:75].[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH:21]([CH3:22])[CH3:23])[c:6]2[c:7]([n:8][c:9](-[c:11]3[cH:12][cH:13][c:14]([C:15](=[O:16])[NH:42][CH:37]([CH:34]4[CH2:33][CH2:32][N:31]([C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:30])[CH2:36][CH2:35]4)[C:38](=[O:39])[O:40][CH3:41])[cH:18][cH:19]3)[o:10]2)[cH:20]1