Potassium Cation → HCID 66777333, compound

HRID 99236Notes

Reaction equation

HRID 99236 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]([CH3:35])[c:8]([CH:10]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[NH:17][c:18]3[cH:19][cH:20][c:21]([C:24](=[O:25])[N:26]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[CH3:34])[cH:22][cH:23]3)[o:9]2)[cH:36]1.[C:48](=[O:49])([O-:50])[O-:51].[CH3:37][O:38][c:39]1[cH:40][cH:41][c:42]([B:45]([OH:46])[OH:47])[cH:43][n:44]1.[CH3:54][N:55]([CH3:56])[C:57](=[O:58])[CH3:59].[K+:52].[K+:53]>>[c:2]1(-[c:42]2[cH:41][cH:40][c:39]([O:38][CH3:37])[n:44][cH:43]2)[cH:3][cH:4][c:5]2[c:6]([c:7]([CH3:35])[c:8]([CH:10]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[NH:17][c:18]3[cH:19][cH:20][c:21]([C:24](=[O:25])[N:26]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[CH3:34])[cH:22][cH:23]3)[o:9]2)[cH:36]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 2734368(6-Methoxypyridin-3-yl)boronic acidHCID 66778109Ethyl 3-{[(4-{[(5-bromo-3-methyl-1-benzofuran-2-yl)(cyclohexyl)methyl]amino}phenyl)carbonyl](methyl)amino}-propanoate

Product 1

HCID 66777333HCID 66777333, compound

Sources & evidence

ORD record
ord-eddd7f718c0c434290e689f3ca873b32
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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