Carbonate Ion → Ethyl 6'-{[(ethylamino)carbonyl]amino}-5''-fluoro-3,3':4',3''-terpyridine-5-carboxylate

HRID 1573603Notes

Reaction equation

HRID 1573603 reaction equation
[Br:1][c:2]1[c:3](-[c:14]2[cH:15][n:16][cH:17][c:18]([F:20])[cH:19]2)[cH:4][c:5]([NH:8][C:9](=[O:10])[NH:11][CH2:12][CH3:13])[n:6][cH:7]1.[C:41](=[O:42])([O-:43])[O-:44].[CH3:21][C:22]1([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27][B:28]([c:29]2[cH:30][n:31][cH:32][c:33]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[cH:39]2)[O:40]1.[Cs+:45].[Cs+:46]>>[c:2]1(-[c:29]2[cH:30][n:31][cH:32][c:33]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[cH:39]2)[c:3](-[c:14]2[cH:15][n:16][cH:17][c:18]([F:20])[cH:19]2)[cH:4][c:5]([NH:8][C:9](=[O:10])[NH:11][CH2:12][CH3:13])[n:6][cH:7]1

Participants

5

Reactant 4

HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 3816953Ethyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylateHCID 59208332N-(5'-bromo-5-fluoro-3,4'-bipyridin-2'-yl)-N'-ethylurea

Product 1

HCID 59208334Ethyl 6'-{[(ethylamino)carbonyl]amino}-5''-fluoro-3,3':4',3''-terpyridine-5-carboxylate

Sources & evidence

ORD record
ord-14c5ea39ac1e4dd1a1a9ad6aa2718551
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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