Nicotinic Acid → Nicotinate

HRID 2347975

반응식

HRID 2347975 반응식
[CH:14]12[CH2:15][CH2:16][C:17]3=[CH:18][C:19](=[O:20])[CH2:21][CH2:22][C:23]3([CH3:24])[CH:25]1[CH2:26][CH2:27][C:28]1([CH3:29])[CH:30]([OH:31])[CH2:32][CH2:33][CH:34]21.[OH:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][cH:11][n:12][cH:13]1.[S:1]([Cl:2])([Cl:3])=[O:4]>>[CH:14]12[CH2:15][CH2:16][C:17]3=[CH:18][C:19](=[O:20])[CH2:21][CH2:22][C:23]3([CH3:24])[CH:25]1[CH2:26][CH2:27][C:28]1([CH3:29])[CH:30]([OH:31])[CH2:32][CH2:33][CH:34]21.[O:5]=[C:6]([O-:7])[c:8]1[cH:9][cH:10][cH:11][n:12][cH:13]1

참가 물질

5

반응물 3

HCID 938Nicotinic AcidHCID 540817-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta(A)Phenanthren-3-OneHCID 24386Thionyl Chloride

생성물 2

HCID 937NicotinateHCID 540817-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta(A)Phenanthren-3-One

출처 및 근거

ORD 기록
ord-f62a5f3534344292964c1857274f6e16
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

연결된 노트

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