반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([Cl:14])[c:7]([C:12]#[N:13])[cH:8][n:9][c:10]2[cH:11]1.[CH3:37][CH2:38][O:39][CH2:40][CH2:41][OH:42].[Cl:15][c:16]1[cH:17][c:18]([NH2:29])[cH:19][cH:20][c:21]1[S:22][c:23]1[n:24]([CH3:28])[cH:25][cH:26][n:27]1.[ClH:30].[n:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([NH:29][c:18]3[cH:17][c:16]([Cl:15])[c:21]([S:22][c:23]4[n:24]([CH3:28])[cH:25][cH:26][n:27]4)[cH:20][cH:19]3)[c:7]([C:12]#[N:13])[cH:8][n:9][c:10]2[cH:11]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-cac55a03d0564edc8a4add7ca7486a7e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…