4-(4-Bromophenyl)-4-hydroxypiperidine → 2-{2-[4-(4-Bromophenyl)-4-hydroxy-piperidin-1-yl]-2-oxo-ethoxy}-pyrimidine-5-carboxylic acid (4-fluorophenyl)amide

반응식

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

참가 물질

반응물 2

HCID 939114-(4-Bromophenyl)-4-hydroxypiperidine

HCID 21087356[5-(4-Fluorophenylcarbamoyl)pyrimidin-2-yloxy]acetic acid

생성물 1

HCID 867603862-{2-[4-(4-Bromophenyl)-4-hydroxy-piperidin-1-yl]-2-oxo-ethoxy}-pyrimidine-5-carboxylic acid (4-fluorophenyl)amide

출처 및 근거

ORD 기록: ord-539b953d3a2d4d0a98bcf9f7e64ec608
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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