반응식
[Br:24][c:25]1[cH:26][c:27]([F:33])[c:28]([I:32])[c:29]([F:31])[cH:30]1.[CH2:4]([CH2:5][CH2:6][CH2:7][CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]([B:21]([OH:22])[OH:23])[cH:19][cH:20]2)[CH2:13][CH2:14]1.[CH3:1][CH2:2][OH:3].[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[OH2:117].[cH:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([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)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([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)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[CH2:4]([CH2:5][CH2:6][CH2:7][CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18](-[c:28]3[c:27]([F:33])[cH:26][c:25]([Br:24])[cH:30][c:29]3[F:31])[cH:19][cH:20]2)[CH2:13][CH2:14]1참가 물질
9
출처 및 근거
- ORD 기록
- ord-279e25e906574298b25cdbbbcda58365
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
연결된 노트
불러오는 중…