Sodium ion → N-(2-chloro-5-(6-phthalazinyl)-3-pyridinyl)-4-fluorobenzenesulfonamide

HRID 692865Notes

Reaction equation

HRID 692865 reaction equation
[Br:28][c:29]1[cH:30][c:31]2[cH:32][n:33][n:34][cH:35][c:36]2[cH:37][cH:38]1.[C:39](=[O:40])([O-:41])[O-:42].[CH2:45]1[O:46][CH2:47][CH2:48][O:49][CH2:50]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([B:19]2[O:20][C:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27]2)[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]1.[Na+:43].[Na+:44].[OH2:51]>>[Cl:1][c:2]1[n:3][cH:4][c:5](-[c:29]2[cH:30][c:31]3[cH:32][n:33][n:34][cH:35][c:36]3[cH:37][cH:38]2)[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 6104366-BromophthalazineHCID 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 44609856N-(2-chloro-5-(6-phthalazinyl)-3-pyridinyl)-4-fluorobenzenesulfonamide

Sources & evidence

ORD record
ord-2d4773e2afb54c93a0554f5dce2c4f13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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