Hydroxide → Ethyl 2-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]acetate

HRID 162783Notes

Reaction equation

HRID 162783 reaction equation
[CH2:1]([CH3:2])[CH:3]1[CH2:4][C:5](=[CH:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[CH2:6][CH:7]1[c:8]1[n:9][n:10][c:11]2[n:12]1[c:13]1[c:14]([n:15][cH:16]2)[nH:17][cH:18][cH:19]1.[CH2:28]1[O:29][CH2:30][CH2:31][CH2:32]1.[H:26][H:27].[OH-:33].[OH-:34].[Pd+2:35]>>[CH2:1]([CH3:2])[CH:3]1[CH2:4][CH:5]([CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[CH2:6][CH:7]1[c:8]1[n:9][n:10][c:11]2[n:12]1[c:13]1[c:14]([n:15][cH:16]2)[nH:17][cH:18][cH:19]1

Participants

6

Reactant 5

HCID 961Hydroxide2×HCID 8028TetrahydrofuranHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 137161962Ethyl 2-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentylidene]acetateHCID 178418361HCID 178418361, compound

Product 1

HCID 136468282Ethyl 2-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]acetate

Sources & evidence

ORD record
ord-51b6a42b6c12458cbab700c42abaccf2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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