HRID1225720

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID20485097

未命名化合物

PRODUCTS

生成物

HCID12708181

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d21a8c73cf2e4b678300be56dbd7b4e1
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

[CH2:19]([C:20]1([CH:21]([NH2:22])[CH2:23][CH3:24])[c:25]2[nH:26][c:27]3[c:28]([c:29]2[CH2:30][CH2:31][O:32]1)[cH:33][cH:34][cH:35][cH:36]3)[CH3:37].[CH2:1]([CH2:2][CH3:3])[C:4]1([CH2:17][NH2:18])[O:5][CH2:6][CH2:7][c:8]2[c:9]1[nH:10][c:11]1[cH:12][cH:13][cH:14][cH:15][c:16]21.[CH2:38]([C:39]1([CH:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[NH2:47])[c:48]2[nH:49][c:50]3[c:51]([c:52]2[CH2:53][CH2:54][O:55]1)[cH:56][cH:57][cH:58][cH:59]3)[CH3:60].[CH2:61]([C:62]1([CH:63]([NH2:64])[CH2:65][c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[nH:73][c:74]3[c:75]([c:76]2[CH2:77][CH2:78][O:79]1)[cH:80][cH:81][cH:82][cH:83]3)[CH2:84][CH2:85][CH3:86].[Cl:87][c:88]1[cH:89][c:90]2[c:91]([cH:92][cH:93]1)[nH:94][c:95]1[c:104]2[CH2:103][CH2:102][O:101][C:96]1([CH:97]([NH2:98])[CH3:99])[CH3:100].[F:125][C:126]([F:127])([F:128])[c:129]1[cH:130][cH:131][cH:132][c:133]2[c:134]1[c:135]1[c:144]([nH:145]2)[C:139]([CH:140]([NH2:141])[CH3:142])([CH3:143])[O:138][CH2:137][CH2:136]1.[N+:105]([c:106]1[cH:107][c:108]2[c:109]([cH:110][cH:111]1)[nH:112][c:113]1[c:122]2[CH2:121][CH2:120][O:119][C:114]1([CH:115]([NH2:116])[CH3:117])[CH3:118])([O-:123])=[O:124]>>[CH3:1][C:4]1([CH2:17][NH2:18])[O:5][CH2:6][CH2:7][c:8]2[c:9]1[nH:10][c:11]1[cH:12][cH:13][cH:14][cH:15][c:16]21