반응식
[CH3:1][S:2][c:3]1[n:4][cH:5][c:6]([C:32]#[N:33])[c:7](-[c:9]2[cH:10][n:11]([S:22](=[O:23])(=[O:24])[c:25]3[cH:26][cH:27][c:28]([CH3:29])[cH:30][cH:31]3)[c:12]3[n:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][c:17]23)[n:8]1.[Cl:57][CH2:58][Cl:59].[F:45][c:46]1[c:47]([F:56])[c:48]([F:55])[c:49]([F:54])[c:50]([F:53])[c:51]1[OH:52].[OH:34][O:35][C:36]([c:37]1[cH:38][c:39]([Cl:40])[cH:41][cH:42][cH:43]1)=[O:44]>>[c:3]1([O:52][c:51]2[c:46]([F:45])[c:47]([F:56])[c:48]([F:55])[c:49]([F:54])[c:50]2[F:53])[n:4][cH:5][c:6]([C:32]#[N:33])[c:7](-[c:9]2[cH:10][n:11]([S:22](=[O:23])(=[O:24])[c:25]3[cH:26][cH:27][c:28]([CH3:29])[cH:30][cH:31]3)[c:12]3[n:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][c:17]23)[n:8]1참가 물질
5
반응물 4
생성물 1
출처 및 근거
- ORD 기록
- ord-546f10b8bbc14aecb162529cd278424b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…