Pentanoic Acid → HCID 19349846, 화합물
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[Br:51][CH2:52][c:53]1[cH:54][cH:55][c:56](-[c:59]2[c:60]([C:65]#[N:66])[cH:61][cH:62][cH:63][cH:64]2)[cH:57][cH:58]1.[CH3:1][CH2:2][CH2:3][CH2:4][C:5](=[O:6])[OH:7].[NH2:35][c:36]1[c:37](=[O:50])[nH:38][cH:39][cH:40][c:41]1[NH:42][CH2:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[NH2:8][c:9]1[cH:10][cH:11][nH:12][c:13](=[O:14])[c:15]1[N:16]([c:17]1[cH:18][cH:19][c:20](-[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2-[c:27]2[nH:28][n:29][n:30][n:31]2)[cH:32][cH:33]1)[CH3:34]>>[NH:35]([c:36]1[c:37](=[O:50])[nH:38][cH:39][cH:40][c:41]1[NH:42][CH2:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[CH2:52][c:53]1[cH:54][cH:55][c:56](-[c:59]2[c:60]([C:65]#[N:66])[cH:61][cH:62][cH:63][cH:64]2)[cH:57][cH:58]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-5f2150929638440bb0e6b9f468b6e2ef
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)