Sodium ion → Ethyl 3-[{[4-({1-[5-(6-methoxypyridin-3-yl)-2-methylfuran-3-yl]-3-methylbutyl}amino)phenyl]carbonyl}(methyl)amino]propanoate

HRID 1564085Notes

Reaction equation

HRID 1564085 reaction equation
[CH3:47][N:48]([CH3:49])[C:50](=[O:51])[CH3:52].[Cl:1][CH:2]([CH2:3][CH:4]([CH3:5])[CH3:6])[c:7]1[cH:8][c:9](-[c:13]2[cH:14][cH:15][c:16]([O:19][CH3:20])[n:17][cH:18]2)[o:10][c:11]1[CH3:12].[I-:46].[NH2:21][c:22]1[cH:23][cH:24][c:25]([C:28](=[O:29])[N:30]([CH2:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[CH3:38])[cH:26][cH:27]1.[Na+:39].[Na+:40].[Na+:45].[O-:41][C:42](=[O:43])[O-:44].[OH2:53]>>[CH:2]([CH2:3][CH:4]([CH3:5])[CH3:6])([c:7]1[cH:8][c:9](-[c:13]2[cH:14][cH:15][c:16]([O:19][CH3:20])[n:17][cH:18]2)[o:10][c:11]1[CH3:12])[NH:21][c:22]1[cH:23][cH:24][c:25]([C:28](=[O:29])[N:30]([CH2:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[CH3:38])[cH:26][cH:27]1

Participants

8

Reactant 7

HCID 923Sodium ion3×HCID 962WaterHCID 19660Carbonate IonHCID 30165Iodide IonHCID 31374DimethylacetamideHCID 46941342Ethyl 3-{[(4-aminophenyl)carbonyl](methyl)amino}propanoateHCID 685120425-[4-(1-Chloro-3-methylbutyl)-5-methylfuran-2-yl]-2-methoxypyridine

Product 1

HCID 68512510Ethyl 3-[{[4-({1-[5-(6-methoxypyridin-3-yl)-2-methylfuran-3-yl]-3-methylbutyl}amino)phenyl]carbonyl}(methyl)amino]propanoate

Sources & evidence

ORD record
ord-d46cb575851c445dbfe3d0284d6133db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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