N-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinamide → N-ethyl-5-[3-fluoro-4-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]pyridine-2-carboxamide

반응식

[Br:21][c:22]1[cH:23][c:24]([F:46])[c:25]([N:28]2[CH2:29][C:30]3([CH2:31][CH2:32][N:33]([CH:36]4[CH2:37][CH2:38][CH:39]([OH:42])[CH2:40][CH2:41]4)[C:34]3=[O:35])[CH2:43][CH2:44][CH2:45]2)[cH:26][cH:27]1.[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[c:6]1[n:7][cH:8][c:9]([B:12]2[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]2)[cH:10][cH:11]1>>[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[c:6]1[n:7][cH:8][c:9](-[c:22]2[cH:23][c:24]([F:46])[c:25]([N:28]3[CH2:29][C:30]4([CH2:31][CH2:32][N:33]([CH:36]5[CH2:37][CH2:38][CH:39]([OH:42])[CH2:40][CH2:41]5)[C:34]4=[O:35])[CH2:43][CH2:44][CH2:45]3)[cH:26][cH:27]2)[cH:10][cH:11]1

참가 물질

반응물 2

HCID 59868917N-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinamide

HCID 765478979-(4-Bromo-2-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

생성물 1

HCID 25123799N-ethyl-5-[3-fluoro-4-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]pyridine-2-carboxamide

출처 및 근거

ORD 기록: ord-cc86cbc556924aadab74e16d2784f4dc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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