반응식
[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:45][CH2:46][OH:47].[Cl:12][c:13]1[cH:14][cH:15][c:16]([O:22][CH2:23][c:24]2[c:25]([F:31])[cH:26][c:27]([Cl:30])[cH:28][cH:29]2)[c:17]([B:19]([OH:20])[OH:21])[cH:18]1.[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH3:11])[c:7]([C:9]#[N:10])[n:8]1.[K+:36].[K+:37].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([CH3:11])[c:7]([C:9]#[N:10])[n:8]1)[c:17]1[c:16]([O:22][CH2:23][c:24]2[c:25]([F:31])[cH:26][c:27]([Cl:30])[cH:28][cH:29]2)[cH:15][cH:14][c:13]([Cl:12])[cH:18]1참가 물질
8
반응물 7
생성물 1
출처 및 근거
- ORD 기록
- ord-bea9813c936e4458a7aa13a94a83e80f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…