Acetate → [3-(4-Benzyl-4,7-diaza-spiro[2.5]oct-7-yl)-isoquinolin-1-yl]-acetic acid ethyl ester

HRID 316007Notes

Reaction equation

HRID 316007 reaction equation
[C:85]([O-:86])(=[O:87])[CH3:88].[C:90]([O-:91])(=[O:92])[CH3:93].[CH2:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[N:25]1[C:26]2([CH2:27][CH2:28]2)[CH2:29][NH:30][CH2:31][CH2:32]1.[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[n:7][c:8]([Cl:16])[cH:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]12)=[O:17].[CH3:33][C:34]([CH3:35])([O-:36])[CH3:37].[Na+:38].[Pd+2:89].[cH:39]1[cH:40][cH:41][c:42]([P:43]([c:44]2[cH:45][cH:46][c:47]3[c:48]([cH:49][cH:50][cH:51][cH:52]3)[c:53]2-[c:54]2[c:55]3[c:56]([cH:57][cH:58][cH:59][cH:60]3)[cH:61][cH:62][c:63]2[P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[n:7][c:8]([N:30]2[CH2:29][C:26]3([N:25]([CH2:18][c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[CH2:32][CH2:31]2)[CH2:27][CH2:28]3)[cH:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]12)=[O:17]

Participants

8

Reactant 7

HCID 175Acetate2×HCID 923Sodium ionHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olateHCID 11379685Ethyl 2-(3-chloroisoquinolin-1-yl)acetateHCID 113900664-Benzyl-4,7-diazaspiro[2.5]octane

Product 1

HCID 11327484[3-(4-Benzyl-4,7-diaza-spiro[2.5]oct-7-yl)-isoquinolin-1-yl]-acetic acid ethyl ester

Sources & evidence

ORD record
ord-8f7e10b8d6c244cca7c4c71340496ac2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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