Sodium ion → HCID 178493723, compound

HRID 2322474Notes

Reaction equation

HRID 2322474 reaction equation
[CH3:40][O:41][c:42]1[cH:43][n:44][cH:45][c:46]([B:48]2[O:49][C:50]([CH3:51])([CH3:52])[C:53]([CH3:54])([CH3:55])[O:56]2)[cH:47]1.[CH3:57][C:58]#[N:59].[NH2:1][c:2]1[n:3][c:4]([O:27][CH:28]([C:29]([F:30])([F:31])[F:32])[c:33]2[cH:34][cH:35][c:36]([Br:39])[cH:37][cH:38]2)[cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([CH2:14][CH:15]([C:16](=[O:17])[OH:18])[NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:12][cH:13]2)[n:7]1.[Na+:60].[Na+:61].[O-:62][C:63](=[O:64])[O-:65].[OH2:66]>>[NH2:1][c:2]1[n:3][c:4]([O:27][CH:28]([C:29]([F:30])([F:31])[F:32])[c:33]2[cH:34][cH:35][c:36](-[c:46]3[cH:45][n:44][cH:43][c:42]([O:41][CH3:40])[cH:47]3)[cH:37][cH:38]2)[cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([CH2:14][CH:15]([C:16](=[O:17])[OH:18])[NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:12][cH:13]2)[n:7]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 38661613-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineHCID 178453162HCID 178453162, compound

Product 1

HCID 178493723HCID 178493723, compound

Sources & evidence

ORD record
ord-b59990616a0a477d861a186ded6bce3a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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