Hexane → HCID 173396147, 화합물
반응식
[Br:45][C:46]1([C:52](=[O:53])[O:54][CH3:55])[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]1.[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][c:21]1[s:22][cH:23][c:24]([C:26]([C:27](=[O:28])[O:29][CH:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)=[N:43][OH:44])[n:25]1.[C:62]([O:63][CH2:64][CH3:65])(=[O:66])[CH3:67].[CH3:56][CH2:57][CH2:58][CH2:59][CH2:60][CH3:61]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][c:21]1[s:22][cH:23][c:24]([C:26]([C:27](=[O:28])[O:29][CH:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)=[N:43][O:44][C:46]2([C:52](=[O:53])[O:54][CH3:55])[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[n:25]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-17258d9a2dc3483c8c8972327d71ec85
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)