HRID1210461

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

结构：COc1ccc2c(O)cc(-c3csc(NC(C)C)n3)nc2c1

HCID178487686

未命名化合物

PRODUCTS

生成物

结构：C=CC1CC1(NC(=O)C1CC(Oc2cc(-c3csc(NC(C)C)n3)nc3cc(OC)ccc23)CC1C(=O)OC(C)(C)C)C(=O)OCC

HCID178435292

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f7c05959d2c45d1aec24cea6ecb15f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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