반응식
[Br:23][c:24]1[cH:25][c:26]([CH3:32])[c:27]([C:28]#[N:29])[cH:30][cH:31]1.[CH3:39][CH2:40][O:41][CH2:42][CH3:43].[CH3:44][CH2:45][OH:46].[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[OH:1][CH:2]([CH:3]([O:4][c:5]1[cH:6][cH:7][c:8]([B:11]([OH:12])[OH:13])[cH:9][cH:10]1)[CH3:14])[CH2:15][CH2:16][c:17]1[cH:18][n:19][cH:20][cH:21][cH:22]1.[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([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)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([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)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([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)[cH:122][cH:123]1>>[OH:1][CH:2]([CH:3]([O:4][c:5]1[cH:6][cH:7][c:8](-[c:24]2[cH:25][c:26]([CH3:32])[c:27]([C:28]#[N:29])[cH:30][cH:31]2)[cH:9][cH:10]1)[CH3:14])[CH2:15][CH2:16][c:17]1[cH:18][n:19][cH:20][cH:21][cH:22]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-4c453eac5e38464cb01669339487e7cb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…