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Chloride → methyl 2-(4-methoxy-7-(3-pivalamido-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate

HRID 1561265
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HRID 1561265 반응식
[Al+3:2].[CH3:9][O:10][c:11]1[c:12]2[c:13]([c:14](-[n:17]3[n:18][c:19]([NH:22][C:23]([C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[n:20][cH:21]3)[n:15][cH:16]1)[nH:29][cH:30][cH:31]2.[Cl-:1].[Cl-:3].[Cl-:4].[Cl:32][C:33]([C:34](=[O:35])[O:36][CH3:37])=[O:38].[Cl:39][CH2:40][Cl:41].[N+:5]([CH3:6])([O-:7])=[O:8]>>[CH3:9][O:10][c:11]1[c:12]2[c:13]([c:14](-[n:17]3[n:18][c:19]([NH:22][C:23]([C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[n:20][cH:21]3)[n:15][cH:16]1)[nH:29][cH:30][c:31]2[C:33]([C:34](=[O:35])[O:36][CH3:37])=[O:38]
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7

반응물 6

HCID 312Chloride3회HCID 6344DichloromethaneHCID 6375NitromethaneHCID 79846Methyl chloroglyoxylateHCID 104727Aluminum CationHCID 59511460N-(1-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-1,2,4-triazol-3-yl)pivalamide

생성물 1

HCID 68694028
methyl 2-(4-methoxy-7-(3-pivalamido-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate

출처 및 근거

ORD 기록
ord-6373671e0cd84baa8d5b80de3a6ff449
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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