반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]([S:7](=[O:8])(=[O:9])[NH2:10])[s:6]1.[C-:28]#[N:29].[C-:31]#[N:32].[CH2:25]([Cl:26])[Cl:27].[CH3:11][OH:12].[CH3:14][CH2:15][O:16][C:17](=[O:18])[CH3:19].[CH3:20][N:21]([CH3:22])[CH:23]=[O:24].[OH2:13].[Zn+2:30].[cH:33]1[cH:34][cH:35][c:36]([P:37]([Pd:38]([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[cH:108][cH:109]1>>[c:2]1([C:20]#[N:21])[cH:3][cH:4][c:5]([S:7](=[O:8])(=[O:9])[NH2:10])[s:6]1참가 물질
10
출처 및 근거
- ORD 기록
- ord-ad6defab84ff43fab92027866c52f51d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…