Sodium ion → HCID 178448612, compound

HRID 120352Notes

Reaction equation

HRID 120352 reaction equation
[CH3:28][C:29]1([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34][B:35]([c:36]2[cH:37][n:38][c:39]([NH2:42])[n:40][cH:41]2)[O:43]1.[Cl:7][c:8]1[n:9][c:10]([N:21]2[CH:22]([CH3:27])[CH2:23][O:24][CH2:25][CH2:26]2)[c:11]2[n:12][cH:13][n:14]([CH2:17][CH:18]([CH3:19])[CH3:20])[c:15]2[n:16]1.[Na+:44].[Na+:45].[O-:46][C:47](=[O:48])[O-:49].[O:1]1[CH2:2][CH2:3][O:4][CH2:5][CH2:6]1.[OH2:50]>>[c:8]1(-[c:36]2[cH:37][n:38][c:39]([NH2:42])[n:40][cH:41]2)[n:9][c:10]([N:21]2[CH:22]([CH3:27])[CH2:23][O:24][CH2:25][CH2:26]2)[c:11]2[n:12][cH:13][n:14]([CH2:17][CH:18]([CH3:19])[CH3:20])[c:15]2[n:16]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 177502122-Aminopyrimidine-5-boronic acid, pinacol esterHCID 178448613HCID 178448613, compound

Product 1

HCID 178448612HCID 178448612, compound

Sources & evidence

ORD record
ord-12990f2bb9a7449fa70674f59867a9f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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