Acetonitrile → 2,3,7-Tribromo-4-hydroxy-1-(4-fluoro-phenyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid ethyl ester

반응식

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([OH:24])[c:8]2[c:9]([cH:10][n:11]1)[n:12](-[c:17]1[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]1)[c:13]([Br:16])[c:14]2[Br:15].[CH3:33][C:34]#[N:35].[O:25]=[C:26]1[N:27]([Br:32])[C:28](=[O:29])[CH2:30][CH2:31]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([OH:24])[c:8]2[c:9]([c:10]([Br:32])[n:11]1)[n:12](-[c:17]1[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]1)[c:13]([Br:16])[c:14]2[Br:15]

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 67184N-bromobutanimide

HCID 684278782,3-Dibromo-1-(4-fluoro-phenyl)-4-hydroxy-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid ethyl ester

생성물 1

HCID 866173732,3,7-Tribromo-4-hydroxy-1-(4-fluoro-phenyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid ethyl ester

출처 및 근거

ORD 기록: ord-01ea9c55ed4247829251fc1de14db0cf
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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