Sodium ion → HCID 178498222, compound

HRID 203677Notes

Reaction equation

HRID 203677 reaction equation
[CH3:1][c:2]1[n:3][c:4]([NH:8][c:9]2[cH:10][c:11]([CH3:24])[cH:12][c:13]([B:15]3[O:16][C:17]([CH3:18])([CH3:19])[C:20]([CH3:21])([CH3:22])[O:23]3)[cH:14]2)[n:5][cH:6][cH:7]1.[CH3:25][O:26][C:27](=[O:28])[CH:29]1[C:30]([CH3:42])([CH3:43])[CH2:31][C:32]([OH:35])([c:36]2[s:37][c:38]([Br:41])[cH:39][n:40]2)[CH2:33][CH2:34]1.[CH3:50][CH:51]1[CH2:52][CH2:53][CH2:54][O:55]1.[Na+:44].[Na+:45].[O-:46][C:47](=[O:48])[O-:49]>>[CH3:1][c:2]1[n:3][c:4]([NH:8][c:9]2[cH:10][c:11]([CH3:24])[cH:12][c:13](-[c:38]3[s:37][c:36]([C:32]4([OH:35])[CH2:31][C:30]([CH3:42])([CH3:43])[CH:29]([C:27]([O:26][CH3:25])=[O:28])[CH2:34][CH2:33]4)[n:40][cH:39]3)[cH:14]2)[n:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 73012-MethyltetrahydrofuranHCID 19660Carbonate IonHCID 584562194-methyl-N-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidin-2-amineHCID 67429606Methyl 4-(5-bromo-1,3-thiazol-2-yl)-4-hydroxy-2,2-dimethylcyclohexane-1-carboxylate

Product 1

HCID 178498222HCID 178498222, compound

Sources & evidence

ORD record
ord-d3cd21dc78b942f8977dc3e5364f5d06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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