Toluene → 3-(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-4-methyl-benzoic acid methyl ester

Reaction equation

[C:23](=[O:24])([O-:25])[O-:26].[CH3:11][O:12][C:13]([c:14]1[cH:15][c:16]([Br:21])[c:17]([CH3:20])[cH:18][cH:19]1)=[O:22].[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[Cs+:27].[Cs+:28].[O:1]1[CH2:2][CH2:3][O:4][C:5]12[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]2>>[O:1]1[CH2:2][CH2:3][O:4][C:5]12[CH2:6][CH2:7][N:8]([c:16]1[cH:15][c:14]([C:13]([O:12][CH3:11])=[O:22])[cH:19][cH:18][c:17]1[CH3:20])[CH2:9][CH2:10]2

Participants

Reactant 5

HCID 1140Toluene

HCID 19660Carbonate Ion

HCID 674351,4-Dioxa-8-azaspiro(4.5)decane

HCID 104967Cesium cation2×

HCID 7015747Methyl 3-bromo-4-methylbenzoate

Product 1

HCID 673546753-(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-4-methyl-benzoic acid methyl ester

Sources & evidence

ORD record: ord-abc9eb2e46df4c9f8e3407557251a7f7
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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