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Hydrochloric Acid → 5-(1'-{[3,5-Diethoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl]carbonyl}-4-oxospiro[chroman-2,4'-piperidin]-6-yl)pyridine-3-carboxylic acid

HRID 670298
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인쇄 미리보기

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HRID 670298 반응식
[C:1]([c:2]1[nH:3][cH:4][cH:5][n:6]1)([c:7]1[nH:8][cH:9][cH:10][n:11]1)=[O:12].[CH2:13]([CH3:14])[O:15][c:16]1[cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22][c:23]([O:31][CH2:32][CH3:33])[c:24]1-[c:25]1[cH:26][n:27][n:28]([CH3:30])[cH:29]1.[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[ClH:34].[ClH:35].[O:36]=[C:37]1[CH2:38][C:39]2([O:40][c:41]3[cH:42][cH:43][c:44](-[c:47]4[cH:48][c:49]([C:53](=[O:54])[OH:55])[cH:50][n:51][cH:52]4)[cH:45][c:46]31)[CH2:56][CH2:57][NH:58][CH2:59][CH2:60]2.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72]>>[CH2:13]([CH3:14])[O:15][c:16]1[cH:17][c:18]([C:19](=[O:20])[N:58]2[CH2:57][CH2:56][C:39]3([CH2:38][C:37](=[O:36])[c:46]4[c:41]([cH:42][cH:43][c:44](-[c:47]5[cH:48][c:49]([C:53](=[O:54])[OH:55])[cH:50][n:51][cH:52]5)[cH:45]4)[O:40]3)[CH2:60][CH2:59]2)[cH:22][c:23]([O:31][CH2:32][CH3:33])[c:24]1-[c:25]1[cH:26][n:27][n:28]([CH3:30])[cH:29]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric Acid2회HCID 6228DimethylformamideHCID 8471TriethylamineHCID 5250894Bis-(1H-imidazol-2-YL)-methanoneHCID 579308925-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)pyridine-3-carboxylic acidHCID 579310273,5-diethoxy-4-(1-methyl-1H-pyrazol-4-yl)benzoic acid

생성물 1

HCID 249996275-(1'-{[3,5-Diethoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl]carbonyl}-4-oxospiro[chroman-2,4'-piperidin]-6-yl)pyridine-3-carboxylic acid

출처 및 근거

ORD 기록
ord-7ca68b75fc254140ae26ec1b6851658f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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