Sodium ion → HCID 44609857, compound

HRID 2324975Notes

Reaction equation

HRID 2324975 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][n:7][cH:8][c:9]2[cH:10][cH:11]1.[Cl:12][c:13]1[n:14][cH:15][c:16]([B:30]2[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]2)[cH:17][c:18]1[NH:19][S:20](=[O:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]1.[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[OH2:45]>>[c:2]1(-[c:16]2[cH:15][n:14][c:13]([Cl:12])[c:18]([NH:19][S:20](=[O:21])(=[O:22])[c:23]3[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]3)[cH:17]2)[cH:3][c:4]2[cH:5][cH:6][n:7][cH:8][c:9]2[cH:10][cH:11]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 3136816-BromoisoquinolineHCID 53363355n-[2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]-4-fluorobenzene-1-sulfonamide

Product 1

HCID 44609857HCID 44609857, compound

Sources & evidence

ORD record
ord-b48ef1c9dab24c4d86e54630a892f344
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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