Sodium ion → 3-[4-(3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]propanoic acid

HRID 302923

반응식

HRID 302923 반응식
[C:40]([OH:41])([CH3:42])([CH3:43])[CH3:44].[CH2:26]1[CH2:29][CH2:28][CH2:27][O:30]1.[CH3:31][C:32]([CH2:33][CH3:34])=[CH2:35].[Cl+:36]([O-:37])[O-:38].[Na+:39].[c:1]1(-[c:7]2[cH:8][n:9][n:10]3[c:11]2[n:12][cH:13][c:14](-[c:16]2[cH:17][cH:18][c:19]([CH2:22][CH2:23][CH:24]=[O:25])[cH:20][cH:21]2)[cH:15]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[cH:8][n:9][n:10]3[c:11]2[n:12][cH:13][c:14](-[c:16]2[cH:17][cH:18][c:19]([CH2:22][CH2:23][C:24](=[O:25])[OH:30])[cH:20][cH:21]2)[cH:15]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

7

출처 및 근거

ORD 기록
ord-2f6614e6eede41319cedf65e1eeb5c61
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

불러오는 중…