Toluene → 5-(Bis(2,2,2-trifluoroethyl)amino)-6-(cyclopropylmethoxy)-pyridine-2-carboxylic acid methyl ester
반응식
[C:74](=[O:75])([O-:76])[O-:77].[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([O:12][CH2:13][CH:14]2[CH2:15][CH2:16]2)[c:8]([Br:11])[cH:9][cH:10]1.[CH3:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[CH:107](=[CH:108][C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)=[O:118])[c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1.[CH:125](=[CH:126][C:127]([CH:128]=[CH:129][c:130]1[cH:131][cH:132][cH:133][cH:134][cH:135]1)=[O:136])[c:137]1[cH:138][cH:139][cH:140][cH:141][cH:142]1.[CH:89](=[CH:90][C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)=[O:100])[c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[Cs+:78].[Cs+:79].[F:17][C:18]([CH2:19][NH:20][CH2:21][C:22]([F:23])([F:24])[F:25])([F:26])[F:27].[Pd:87].[Pd:88].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][c:39]3[c:40]([cH:41][cH:42][cH:43][cH:44]3)[c:45]2-[c:46]2[c:47]3[c:48]([cH:49][cH:50][cH:51][cH:52]3)[cH:53][cH:54][c:55]2[P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([O:12][CH2:13][CH:14]2[CH2:15][CH2:16]2)[c:8]([N:20]([CH2:19][C:18]([F:17])([F:26])[F:27])[CH2:21][C:22]([F:23])([F:24])[F:25])[cH:9][cH:10]1참가 물질
9
반응물 8
생성물 1
출처 및 근거
- ORD 기록
- ord-fc98e3a8c71540309006689a988e912d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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