1-(4-Amino-3-fluorophenyl)pyrazin-2(1H)-one → 5-chloro-thiophene-2-carboxylic acid {(1RS,2SR,4SR)-4-[2-fluoro-4-(2-oxo-2H-pyrazin-1-yl)-phenylcarbamoyl]-2-hydroxy-cyclopentylmethyl}-amide

반응식

[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH2:6][CH:7]([CH2:11][NH:12][C:13](=[O:14])[c:15]2[s:16][c:17]([Cl:20])[cH:18][cH:19]2)[CH:8]([OH:10])[CH2:9]1.[NH2:21][c:22]1[c:23]([F:35])[cH:24][c:25](-[n:28]2[c:29](=[O:34])[cH:30][n:31][cH:32][cH:33]2)[cH:26][cH:27]1>>[C:3](=[O:4])([CH:5]1[CH2:6][CH:7]([CH2:11][NH:12][C:13](=[O:14])[c:15]2[s:16][c:17]([Cl:20])[cH:18][cH:19]2)[CH:8]([OH:10])[CH2:9]1)[NH:21][c:22]1[c:23]([F:35])[cH:24][c:25](-[n:28]2[c:29](=[O:34])[cH:30][n:31][cH:32][cH:33]2)[cH:26][cH:27]1

참가 물질

반응물 2

HCID 230867741-(4-Amino-3-fluorophenyl)pyrazin-2(1H)-one

HCID 68687973(1SR,3RS,4SR)-3-{[(5-chloro-thiophene-2-carbonyl)-amino]-methyl}-4-hydroxy-cyclopentanecarboxylic acid methyl ester

생성물 1

HCID 732308795-chloro-thiophene-2-carboxylic acid {(1RS,2SR,4SR)-4-[2-fluoro-4-(2-oxo-2H-pyrazin-1-yl)-phenylcarbamoyl]-2-hydroxy-cyclopentylmethyl}-amide

출처 및 근거

ORD 기록: ord-396a6744e9454d02b6e0a4b53ef75897
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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