Acetic Acid → HCID 58804670, 화합물

HRID 181967

반응식

HRID 181967 반응식
[C:38]([BH3-:39])#[N:40].[C:42](=[O:43])([O-:44])[OH:45].[CH3:23][O:24][C:25](=[O:26])[c:27]1[c:28]([C:29](=[O:30])[O:31][CH3:32])[cH:33][cH:34][c:35]([NH2:37])[cH:36]1.[CH3:47][OH:48].[CH3:49][C:50](=[O:51])[OH:52].[Na+:41].[Na+:46].[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[cH:14][cH:15][c:16]([CH2:19][CH2:20][CH:21]=[O:22])[cH:17][cH:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[cH:14][cH:15][c:16]([CH2:19][CH2:20][CH2:21][NH:37][c:35]3[cH:34][cH:33][c:28]([C:29](=[O:30])[O:31][CH3:32])[c:27]([C:25]([O:24][CH3:23])=[O:26])[cH:36]3)[cH:17][cH:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

8

출처 및 근거

ORD 기록
ord-feaf7aaad9174284a4ad1c8ad4fc763e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

불러오는 중…