Sodium ion → 2'-Methoxy-[1,1'-biphenyl]-4-carbaldehyde
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[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:6]=[O:7])[cH:8][cH:9]1.[C:21](=[O:22])([O-:23])[O-:24].[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:10][O:11][c:12]1[c:13]([B:18]([OH:19])[OH:20])[cH:14][cH:15][cH:16][cH:17]1.[CH3:27][O:28][CH2:29][CH2:30][O:31][CH3:32].[Na+:25].[Na+:26].[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114]1>>[c:2]1(-[c:13]2[c:12]([O:11][CH3:10])[cH:17][cH:16][cH:15][cH:14]2)[cH:3][cH:4][c:5]([CH:6]=[O:7])[cH:8][cH:9]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-8f6f9c7889a444d0956c976b6772097f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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