Betahistine → N-(4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-2-[methyl-(2-pyridin-2-yl-ethyl)-amino]-isonicotinamide

HRID 211212

반응식

HRID 211212 반응식
[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[s:9][c:10]3[c:11]([n:12]2)[c:13]([O:23][CH3:24])[cH:14][cH:15][c:16]3[N:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[cH:25][cH:26][n:27]1.[C:38](=[O:39])([O-:40])[O-:41].[CH3:28][NH:29][CH2:30][CH2:31][c:32]1[n:33][cH:34][cH:35][cH:36][cH:37]1.[Cs+:42].[Cs+:43]>>[c:2]1([N:29]([CH3:28])[CH2:30][CH2:31][c:32]2[n:33][cH:34][cH:35][cH:36][cH:37]2)[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[s:9][c:10]3[c:11]([n:12]2)[c:13]([O:23][CH3:24])[cH:14][cH:15][c:16]3[N:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[cH:25][cH:26][n:27]1

참가 물질

5

출처 및 근거

ORD 기록
ord-ebe06078e8534154b8364576cb167e65
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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