Chloride → tert-butyl 4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxylate
반응식
[C:38](=[O:39])([O-:40])[O-:41].[CH3:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[Cl-:44].[F:27][c:28]1[c:29]([B:35]([OH:36])[OH:37])[cH:30][c:31]([F:34])[cH:32][cH:33]1.[Li+:45].[Na+:42].[Na+:43].[OH2:52].[c:1]1([CH:7]2[N:8]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:9][C:10]([O:12][S:13]([C:14]([F:15])([F:16])[F:17])(=[O:18])=[O:19])=[CH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[c:1]1([CH:7]2[N:8]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:9][C:10]([c:29]3[c:28]([F:27])[cH:33][cH:32][c:31]([F:34])[cH:30]3)=[CH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1참가 물질
10
반응물 9
생성물 1
출처 및 근거
- ORD 기록
- ord-57ab7b8d83a64387bb9e861cfa1e3bf8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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