Acetate → HCID 57708938, 화합물
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[C:102]([O-:103])(=[O:104])[CH3:105].[C:85](=[O:86])([OH:87])[O-:88].[C:97]([O-:98])(=[O:99])[CH3:100].[CH2:50]([CH3:51])[C:52]([CH2:53][CH3:54])([c:55]1[cH:56][cH:57][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:70]1[cH:71][c:72]([CH3:84])[c:73]([O:74][CH2:75][CH:76]([C:77]([CH3:78])([CH3:79])[CH3:80])[OH:81])[cH:82][cH:83]1.[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][n:7][cH:8][c:9]([Br:11])[cH:10]1)=[O:12].[CH3:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]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+:89].[OH2:106].[P:42]([O-:43])([O-:44])([O-:45])=[O:46].[Pd+2:101]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][n:7][cH:8][c:9](-[c:58]2[cH:57][cH:56][c:55]([C:52]([CH2:50][CH3:51])([CH2:53][CH3:54])[c:70]3[cH:71][c:72]([CH3:84])[c:73]([O:74][CH2:75][CH:76]([C:77]([CH3:78])([CH3:79])[CH3:80])[OH:81])[cH:82][cH:83]3)[cH:60][cH:59]2)[cH:10]1)=[O:12]참가 물질
12
반응물 11
생성물 1
출처 및 근거
- ORD 기록
- ord-78cd2daff7054bfea0bbcfc8a50a0978
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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