Acetic Acid → HCID 15289703, 화합물

HRID 2128550

반응식

HRID 2128550 반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([S:26](=[O:27])(=[O:28])[c:29]2[cH:30][cH:31][c:32]([CH3:35])[cH:33][cH:34]2)[n:8][c:9](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:10]([N+:17]([O-:18])=[O:19])[c:11]1[C:12](=[O:13])[O:14][CH2:15][CH3:16].[CH3:36][C:37](=[O:38])[OH:39].[CH3:40][CH2:41][OH:42].[Fe:43]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([S:26](=[O:27])(=[O:28])[c:29]2[cH:30][cH:31][c:32]([CH3:35])[cH:33][cH:34]2)[n:8][c:9](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:10]([NH2:17])[c:11]1[C:12](=[O:13])[O:14][CH2:15][CH3:16]

참가 물질

5

출처 및 근거

ORD 기록
ord-3b53f73ddb314382ab050fd1aaf36fb6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

연결된 노트

불러오는 중…