Sodium ion → HCID 58289778, compound

HRID 302572Notes

Reaction equation

HRID 302572 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]2[c:6]([n:7]1)[n:8]([CH2:11][c:12]1[cH:13][c:14](-[c:18]3[n:19][cH:20][c:21]([Br:24])[cH:22][n:23]3)[cH:15][cH:16][cH:17]1)[n:9][n:10]2.[CH3:25][n:26]1[n:27][cH:28][c:29]([B:31]2[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]2)[cH:30]1.[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[OH2:46]>>[c:2]1(-[c:29]2[cH:28][n:27][n:26]([CH3:25])[cH:30]2)[cH:3][n:4][c:5]2[c:6]([n:7]1)[n:8]([CH2:11][c:12]1[cH:13][c:14](-[c:18]3[n:19][cH:20][c:21]([Br:24])[cH:22][n:23]3)[cH:15][cH:16][cH:17]1)[n:9][n:10]2

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 27739871-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 58289710HCID 58289710, compound

Product 1

HCID 58289778HCID 58289778, compound

Sources & evidence

ORD record
ord-0bfa0d64a1b640a49ddeda8adfc0babd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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