반응식
[C:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[n:34]1[cH:35][n:36][c:37]([CH:39]=[O:40])[cH:38]1.[CH:11]([Mg+:12])([CH3:13])[CH3:14].[Cl-:10].[I:1][c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1.[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[c:2]1([CH:39]([c:37]2[n:36][cH:35][n:34]([C:15]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[cH:38]2)[OH:40])[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-aecef1049391441db44533b1c1007ce2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…