4-[4-(6-Chloropyrazin-2-yl)piperazin-1-yl]butan-1-amine → 5,5a,8,8a-Tetrahydro-3-[4-[4-(6-chloro-2-pyrazinyl)-1-piperazinyl]butyl]-1,5-methanocyclopent[d]azepine-2,4(1H,3H)-dione

HRID 137177Notes

Reaction equation

HRID 137177 reaction equation
[CH:1]12[CH:2]3[CH2:3][CH:4]([CH:5]1[CH:6]=[CH:7][CH2:8]2)[C:9](=[O:10])[O:11][C:12]3=[O:13].[NH2:14][CH2:15][CH2:16][CH2:17][CH2:18][N:19]1[CH2:20][CH2:21][N:22]([c:25]2[n:26][c:27]([Cl:31])[cH:28][n:29][cH:30]2)[CH2:23][CH2:24]1>>[CH:1]12[CH:2]3[CH2:3][CH:4]([CH:5]1[CH:6]=[CH:7][CH2:8]2)[C:9](=[O:11])[N:14]([CH2:15][CH2:16][CH2:17][CH2:18][N:19]1[CH2:20][CH2:21][N:22]([c:25]2[n:26][c:27]([Cl:31])[cH:28][n:29][cH:30]2)[CH2:23][CH2:24]1)[C:12]3=[O:13]

Participants

3

Reactant 2

HCID 140865264-[4-(6-Chloropyrazin-2-yl)piperazin-1-yl]butan-1-amineHCID 53699477Bicyclo[3.3.0]oct-6-ene-2,4-dicarboxylic anhydride

Product 1

HCID 143701665,5a,8,8a-Tetrahydro-3-[4-[4-(6-chloro-2-pyrazinyl)-1-piperazinyl]butyl]-1,5-methanocyclopent[d]azepine-2,4(1H,3H)-dione

Sources & evidence

ORD record
ord-d6d70528e5804160bac61dc8e9c0dfed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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