1-[2-(4-Aminopiperidin-1-yl)ethyl]-2-oxo-1,2-dihydroquinoline-7-carbonitrile → 4-[2-(Trans-4-aminocyclohexyl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile

HRID 2132582Notes

Reaction equation

HRID 2132582 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:29]1)[N:8]([CH2:13][CH2:14][CH:15]1[CH2:16][CH2:17][CH:18]([NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:19][CH2:20]1)[C:9](=[O:12])[CH2:10][O:11]2.[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>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:29]1)[N:8]([CH2:13][CH2:14][CH:15]1[CH2:16][CH2:17][CH:18]([NH2:21])[CH2:19][CH2:20]1)[C:9](=[O:12])[CH2:10][O:11]2

Participants

3

Reactant 2

HCID 602009201-[2-(4-Aminopiperidin-1-yl)ethyl]-2-oxo-1,2-dihydroquinoline-7-carbonitrileHCID 86642618tert-Butyl {trans-4-[2-(6-cyano-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]cyclohexyl}carbamate

Product 1

HCID 667734134-[2-(Trans-4-aminocyclohexyl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile

Sources & evidence

ORD record
ord-67dad28fdc1841f0af3452f1c78d03a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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