Water → 2-(2,6-Diazabicyclo[3.2.2]nonan-2-yl)-6-fluoroquinazoline

반응식

[CH3:29][C:30]#[N:31].[F:1][c:2]1[cH:3][c:4]2[cH:5][n:6][c:7]([N:12]3[CH:13]4[CH2:14][N:15]([c:21]5[cH:22][cH:23][c:24]([O:25][CH3:26])[cH:27][cH:28]5)[CH:16]([CH2:17][CH2:18]3)[CH2:19][CH2:20]4)[n:8][c:9]2[cH:10][cH:11]1.[OH2:32]>>[F:1][c:2]1[cH:3][c:4]2[cH:5][n:6][c:7]([N:12]3[CH:13]4[CH2:14][NH:15][CH:16]([CH2:17][CH2:18]3)[CH2:19][CH2:20]4)[n:8][c:9]2[cH:10][cH:11]1

참가 물질

반응물 3

HCID 962Water

HCID 6342Acetonitrile

HCID 249647186-Fluoro-2-[6-(4-methoxyphenyl)-2,6-diazabicyclo[3.2.2]nonan-2-yl]quinazoline

생성물 1

HCID 703079932-(2,6-Diazabicyclo[3.2.2]nonan-2-yl)-6-fluoroquinazoline

출처 및 근거

ORD 기록: ord-74fc7b2da168478ea767478b953573e2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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