Sodium ion → HCID 67442041, compound

HRID 1145705Notes

Reaction equation

HRID 1145705 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[NH:12][CH:11]([c:16]1[cH:17][c:18]([Br:22])[cH:19][cH:20][cH:21]1)[C:10]([CH3:23])([CH3:24])[CH2:9]2.[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH:25]([CH3:26])([CH3:27])[O:28][c:29]1[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1.[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[NH:12][CH:11]([c:16]1[cH:17][c:18](-[c:32]3[cH:31][cH:30][c:29]([O:28][CH:25]([CH3:26])[CH3:27])[cH:34][cH:33]3)[cH:19][cH:20][cH:21]1)[C:10]([CH3:23])([CH3:24])[CH2:9]2

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 36987264-Isopropoxybenzeneboronic acidHCID 674428312-(3-Bromo-phenyl)-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester

Product 1

HCID 67442041HCID 67442041, compound

Sources & evidence

ORD record
ord-57a1a49174594ccea7982f5f1188ca47
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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