HRID1551562

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID166653

Hydride

H-

结构：CC(C)(C)OC(=O)NC1CCN(CCOS(C)(=O)=O)CC1

HCID56834478

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCN(CCn2c(=O)cnc3c(F)cc(F)cc32)CC1

HCID86642657

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f2f65c31c4d49e0ac0b04ae7ec0580e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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