Dimethylformamide → 4-[5-(4-isobutyl piperazin-1-yl)pyridin-2-yl]-3,4-dihydro-2H-quinoxaline-1-carboxylic acid (5-carbamoyladamantan-2-yl)amide

HRID 2343421Notes

Reaction equation

HRID 2343421 reaction equation
[CH2:1]([CH:2]([CH3:3])[CH3:4])[N:5]1[CH2:6][CH2:7][N:8]([c:11]2[cH:12][cH:13][c:14]([N:17]3[CH2:18][CH2:19][NH:20][c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]43)[n:15][cH:16]2)[CH2:9][CH2:10]1.[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH:46]([NH:47][CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl:34][C:35]([Cl:36])([O:37][C:38]([O:39][C:40]([Cl:41])([Cl:42])[Cl:43])=[O:44])[Cl:45].[Cl:67][CH2:68][Cl:69].[NH2:53][CH:54]1[CH:55]2[CH2:56][C:57]3([C:64](=[O:65])[NH2:66])[CH2:58][CH:59]([CH2:60][CH:61]1[CH2:62]3)[CH2:63]2.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[N:5]1[CH2:6][CH2:7][N:8]([c:11]2[cH:12][cH:13][c:14]([N:17]3[CH2:18][CH2:19][N:20]([C:38](=[O:44])[NH:53][CH:54]4[CH:55]5[CH2:56][C:57]6([C:64](=[O:65])[NH2:66])[CH2:58][CH:59]([CH2:60][CH:61]4[CH2:62]6)[CH2:63]5)[c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]43)[n:15][cH:16]2)[CH2:9][CH2:10]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 7912DiisopropylamineHCID 8471TriethylamineHCID 94429TriphosgeneHCID 668630161-[5-(4-Isobutylpiperazin-1-yl)pyridin-2-yl]-1,2,3,4-tetrahydroquinoxalineHCID 668634414-Aminoadamantane-1-carboxamide

Product 1

HCID 581020504-[5-(4-isobutyl piperazin-1-yl)pyridin-2-yl]-3,4-dihydro-2H-quinoxaline-1-carboxylic acid (5-carbamoyladamantan-2-yl)amide

Sources & evidence

ORD record
ord-8647ebfc90894be28174f1d7a6c34c60
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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