Water → HCID 53387574, compound

HRID 2162200Notes

Reaction equation

HRID 2162200 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7][o:8]2)[cH:9][cH:10]1.[C:11](=[O:12])([O-:13])[O-:14].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[Cl:17][c:18]1[n:19][cH:20][c:21]([B:35]2[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]2)[cH:22][c:23]1[NH:24][S:25](=[O:26])(=[O:27])[c:28]1[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]1.[Cs+:15].[Cs+:16].[OH2:49]>>[c:2]1(-[c:21]2[cH:20][n:19][c:18]([Cl:17])[c:23]([NH:24][S:25](=[O:26])(=[O:27])[c:28]3[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]3)[cH:22]2)[cH:3][c:4]2[c:5]([n:6][cH:7][o:8]2)[cH:9][cH:10]1

Participants

7

Reactant 6

HCID 962WaterHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 179028006-Bromo-1,3-benzoxazoleHCID 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 53387574HCID 53387574, compound

Sources & evidence

ORD record
ord-a00342f33fdd4ed2a710aa624b202697
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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