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Sodium Ion → 3-[2-{2-(N-carboxymethyl-N-methylcarbamoyl)methyl-1-cyclohexenyl}-3-oxo-2,3-dihydropyridazin-6-yl]-2-phenylpyrazolo[1,5-a]pyridine

HRID 2333946
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반응식

HRID 2333946 반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH2:6][N:7]([C:8](=[O:9])[CH2:10][C:11]1=[C:12]([n:17]2[n:18][c:19](-[c:24]3[c:25](-[c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[n:26][n:27]4[c:28]3[cH:29][cH:30][cH:31][cH:32]4)[cH:20][cH:21][c:22]2=[O:23])[CH2:13][CH2:14][CH2:15][CH2:16]1)[CH3:39].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Na+:41].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[OH-:40].[OH2:54]>>[O:3]=[C:4]([OH:5])[CH2:6][N:7]([C:8](=[O:9])[CH2:10][C:11]1=[C:12]([n:17]2[n:18][c:19](-[c:24]3[c:25](-[c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[n:26][n:27]4[c:28]3[cH:29][cH:30][cH:31][cH:32]4)[cH:20][cH:21][c:22]2=[O:23])[CH2:13][CH2:14][CH2:15][CH2:16]1)[CH3:39]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 226292113-[2-{2-(N-ethoxycarbonylmethyl-N-methylcarbamoyl)methyl-1-cyclohexenyl}-3-oxo-2,3-dihydropyridazin-6-yl]-2-phenylpyrazolo[1,5-a]pyridine

생성물 1

HCID 22629185
3-[2-{2-(N-carboxymethyl-N-methylcarbamoyl)methyl-1-cyclohexenyl}-3-oxo-2,3-dihydropyridazin-6-yl]-2-phenylpyrazolo[1,5-a]pyridine

출처 및 근거

ORD 기록
ord-97a2bff98b8f4515b41aa4059a715876
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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