Acetic Acid → HCID 178471284, 화합물

HRID 1114857

반응식

HRID 1114857 반응식
[C:17]([CH3:18])(=[O:19])[O:20][CH:21]1[C:22]2([CH3:23])[CH:24]([CH2:25][CH2:26]1)[CH:27]1[CH:28]([CH2:48][CH2:49][CH:50]=[O:51])[CH2:29][c:30]3[cH:31][c:32]([O:39][C:40]([c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)=[O:47])[cH:33][cH:34][c:35]3[CH:36]1[CH2:37][CH2:38]2.[C:52]([OH:53])(=[O:54])[CH:55]=[CH:56][CH2:57][CH3:58].[CH3:3][CH2:4][O:5][C:6](=[O:7])[CH2:8][P:9]([O:10][CH2:11][CH3:12])([O:13][CH2:14][CH3:15])=[O:16].[CH3:66][C:67](=[O:68])[OH:69].[H-:1].[Na+:2].[Na+:60].[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1.[OH-:59]>>[CH3:3][CH2:4][O:5][C:6](=[O:7])[CH:8]=[CH:50][CH2:49][CH2:48][CH:28]1[CH:27]2[CH:24]3[C:22]([CH3:23])([CH:21]([O:20][C:17]([CH3:18])=[O:19])[CH2:26][CH2:25]3)[CH2:38][CH2:37][CH:36]2[c:35]2[c:30]([cH:31][c:32]([O:39][C:40]([c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)=[O:47])[cH:33][cH:34]2)[CH2:29]1

참가 물질

9

출처 및 근거

ORD 기록
ord-50ef27e0e79d46499a763964831d8e98
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

불러오는 중…