HRID86482

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID947

Nitrogen

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

结构：C=CC1CC1(NC(=O)C1CC(O)CC1C(=O)OC(C)(C)C)C(=O)OCC

HCID66871418

未命名化合物

HCID178487730

未命名化合物

PRODUCTS

生成物

结构：C=CC1CC1(NC(=O)C1CC(Oc2nc(-c3cccc(F)c3)nc3c(C)c(OC)ccc23)CC1C(=O)OC(C)(C)C)C(=O)OCC

HCID68412461

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d604367bcb44484974d8a1f51bc33fe
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

[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[CH:27]1[CH:28]([C:33]([NH:34][C:35]2([C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH:36]([CH:38]=[CH2:39])[CH2:37]2)=[O:45])[CH2:29][CH:30]([OH:32])[CH2:31]1.[CH2:88]1[O:89][CH2:90][CH2:91][CH2:92]1.[F:46][c:47]1[cH:48][c:49](-[c:53]2[n:54][c:55]3[c:56]([CH3:66])[c:57]([O:64][CH3:65])[cH:58][cH:59][c:60]3[c:61]([OH:63])[n:62]2)[cH:50][cH:51][cH:52]1.[N:67]#[N:68].[O:69]=[C:70]([O:71][CH:72]([CH3:73])[CH3:74])[N:75]=[N:76][C:77]([O:78][CH:79]([CH3:80])[CH3:81])=[O:82].[O:83]=[CH:84][N:85]([CH3:86])[CH3:87].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[CH:27]1[CH:28]([C:33]([NH:34][C:35]2([C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH:36]([CH:38]=[CH2:39])[CH2:37]2)=[O:45])[CH2:29][CH:30]([O:32][c:61]2[c:60]3[c:55]([n:54][c:53](-[c:49]4[cH:48][c:47]([F:46])[cH:52][cH:51][cH:50]4)[n:62]2)[c:56]([CH3:66])[c:57]([O:64][CH3:65])[cH:58][cH:59]3)[CH2:31]1