Acetate → (4'-{1-[4-(3,3-Dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl}-2'-methyl-biphenyl-4-yl)acetic acid methyl ester
반응식
[C:103]([O-:104])(=[O:105])[CH3:106].[C:86](=[O:87])([OH:88])[O-:89].[C:98]([O-:99])(=[O:100])[CH3:101].[CH2:50]([CH3:51])[C:52]([CH2:53][CH3:54])([c:55]1[cH:56][c:57]([CH3:70])[c:58]([B:61]2[O:62][C:63]([CH3:64])([CH3:65])[C:66]([CH3:67])([CH3:68])[O:69]2)[cH:59][cH:60]1)[c:71]1[cH:72][c:73]([CH3:85])[c:74]([O:75][CH2:76][C:77]([C:78]([CH3:79])([CH3:80])[CH3:81])=[O:82])[cH:83][cH:84]1.[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([Br:11])[cH:9][cH:10]1)=[O:12].[CH3:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[CH:13]1([P:14]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2-[c:27]2[c:28]([O:29][CH3:30])[cH:31][cH:32][cH:33][c:34]2[O:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1.[K+:47].[K+:48].[K+:49].[Na+:90].[OH2:107].[P:42]([O-:43])([O-:44])([O-:45])=[O:46].[Pd+2:102]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:58]2[c:57]([CH3:70])[cH:56][c:55]([C:52]([CH2:50][CH3:51])([CH2:53][CH3:54])[c:71]3[cH:72][c:73]([CH3:85])[c:74]([O:75][CH2:76][C:77]([C:78]([CH3:79])([CH3:80])[CH3:81])=[O:82])[cH:83][cH:84]3)[cH:60][cH:59]2)[cH:9][cH:10]1)=[O:12]참가 물질
12
반응물 11
생성물 1
출처 및 근거
- ORD 기록
- ord-7ca91ecfc5b2466db542968885a9c576
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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