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Hydrochloric Acid → 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-[(1-methylimidazol-4-yl)-phenyl-methylene]-1-piperidyl]ethane-1,2-dione

HRID 2316451
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HRID 2316451 반응식
[CH3:31][O:32][c:33]1[c:34]2[c:35]([C:48]([C:49]([OH:50])=[O:51])=[O:52])[cH:36][nH:37][c:38]2[c:39](-[n:42]2[n:43][c:44]([CH3:47])[n:45][cH:46]2)[n:40][cH:41]1.[Cl:53][CH2:54][Cl:55].[ClH:30].[F:23][C:24]([F:25])([F:26])[C:27]([OH:28])=[O:29].[c:1]1([C:7]([c:8]2[n:9][cH:10][n:11]([CH3:13])[cH:12]2)=[C:14]2[CH2:15][CH2:16][N:17]([C:20](=[O:21])[OH:22])[CH2:18][CH2:19]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]([c:8]2[n:9][cH:10][n:11]([CH3:13])[cH:12]2)=[C:14]2[CH2:15][CH2:16][N:17]([C:20](=[O:22])[C:48]([c:35]3[c:34]4[c:33]([O:32][CH3:31])[cH:41][n:40][c:39](-[n:42]5[n:43][c:44]([CH3:47])[n:45][cH:46]5)[c:38]4[nH:37][cH:36]3)=[O:52])[CH2:18][CH2:19]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1
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참가 물질

6

반응물 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 596815922-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acidHCID 1404796054-[(1-Methylimidazol-4-yl)-phenylmethylidene]piperidine-1-carboxylic acid

생성물 1

HCID 5279943
1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-[(1-methylimidazol-4-yl)-phenyl-methylene]-1-piperidyl]ethane-1,2-dione

출처 및 근거

ORD 기록
ord-476277bc3b304ce9b7a125d70d5eb5ad
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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