Ethanol → Nicotinate

HRID 295972

반응식

HRID 295972 반응식
[CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6]1=[C:7]([CH2:8][O:9][CH2:10][CH2:11][NH2:12])[NH:13][C:14]([CH3:15])=[C:16]([C:25](=[O:26])[O:27][CH3:28])[CH:17]1[c:18]1[cH:19][cH:20][cH:21][cH:22][c:23]1[Cl:24].[CH3:38][CH2:39][OH:40].[OH:29][C:30](=[O:31])[c:32]1[cH:33][cH:34][cH:35][n:36][cH:37]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6]1=[C:7]([CH2:8][O:9][CH2:10][CH2:11][NH2:12])[NH:13][C:14]([CH3:15])=[C:16]([C:25](=[O:26])[O:27][CH3:28])[CH:17]1[c:18]1[cH:19][cH:20][cH:21][cH:22][c:23]1[Cl:24].[O:29]=[C:30]([O-:31])[c:32]1[cH:33][cH:34][cH:35][n:36][cH:37]1

참가 물질

5

반응물 3

HCID 702EthanolHCID 938Nicotinic AcidHCID 2162Amlodipine

생성물 2

HCID 937NicotinateHCID 2162Amlodipine

출처 및 근거

ORD 기록
ord-11d844693ef54462a89ee9e711f594e3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

불러오는 중…