1-[2-(4-Aminopiperidin-1-yl)ethyl]-2-oxo-1,2-dihydroquinoline-7-carbonitrile → 4-[2-(6-Amino-3-azabicyclo[3.1.0]hex-3-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile

반응식

[C:1]([N:5]([C:2](=[O:3])[O-:4])[CH:9]1[CH:10]2[CH2:11][N:12]([CH2:15][CH2:16][N:17]3[C:18](=[O:29])[CH2:19][O:20][c:21]4[c:22]3[cH:23][c:24]([C:27]#[N:28])[cH:25][cH:26]4)[CH2:13][CH:14]12)([CH3:6])([CH3:7])[CH3:8].[NH2:30][CH:31]1[CH2:32][CH2:33][N:34]([CH2:35][CH2:36][n:37]2[c:38]3[c:39]([cH:40][cH:41][c:42]([C:43]#[N:44])[cH:45]3)[cH:46][cH:47][c:48]2=[O:49])[CH2:50][CH2:51]1>>[NH2:5][CH:9]1[CH:10]2[CH2:11][N:12]([CH2:15][CH2:16][N:17]3[C:18](=[O:29])[CH2:19][O:20][c:21]4[c:22]3[cH:23][c:24]([C:27]#[N:28])[cH:25][cH:26]4)[CH2:13][CH:14]12

참가 물질

반응물 2

HCID 602009201-[2-(4-Aminopiperidin-1-yl)ethyl]-2-oxo-1,2-dihydroquinoline-7-carbonitrile

HCID 178449612N-tert-butyl-N-[3-[2-(6-cyano-3-oxo-1,4-benzoxazin-4-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate

생성물 1

HCID 667753604-[2-(6-Amino-3-azabicyclo[3.1.0]hex-3-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile

출처 및 근거

ORD 기록: ord-c9894a553d6b4fb7acff5d8c3b96f8ce
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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