반응식
[Br:1][c:2]1[cH:3][c:4](-[n:8]2[cH:9][n:10][c:11]3[c:12]2[cH:13][cH:14][c:15]([C:17](=[O:18])[NH:19][CH2:20][c:21]2[cH:22][n:23][cH:24][cH:25][cH:26]2)[cH:16]3)[cH:5][cH:6][cH:7]1.[C:27](#[N:28])[c:29]1[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1.[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:32]2[cH:31][cH:30][c:29]([C:27]#[N:28])[cH:34][cH:33]2)[cH:3][c:4](-[n:8]2[cH:9][n:10][c:11]3[c:12]2[cH:13][cH:14][c:15]([C:17](=[O:18])[NH:19][CH2:20][c:21]2[cH:22][n:23][cH:24][cH:25][cH:26]2)[cH:16]3)[cH:5][cH:6][cH:7]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-a14ec60131f248168534889c701a9519
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
연결된 노트
불러오는 중…