Sodium ion → 1-[4-(5-Bromopyrimidine-2-sulfinyl)phenyl]-3-(2-nitrobenzoyl)-urea

HRID 2329031Notes

Reaction equation

HRID 2329031 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]([S:8][c:9]2[cH:10][cH:11][c:12]([NH:15][C:16](=[O:17])[NH:18][C:19]([c:20]3[c:21]([N+:26](=[O:27])[O-:28])[cH:22][cH:23][cH:24][cH:25]3)=[O:29])[cH:13][cH:14]2)[n:6][cH:7]1.[C:41](=[O:42])([O-:43])[O-:44].[Cl:47][CH2:48][Cl:49].[Na+:45].[Na+:46].[OH2:50].[OH:30][O:31][C:32]([c:33]1[cH:34][c:35]([Cl:36])[cH:37][cH:38][cH:39]1)=[O:40]>>[Br:1][c:2]1[cH:3][n:4][c:5]([S:8]([c:9]2[cH:10][cH:11][c:12]([NH:15][C:16](=[O:17])[NH:18][C:19]([c:20]3[c:21]([N+:26](=[O:27])[O-:28])[cH:22][cH:23][cH:24][cH:25]3)=[O:29])[cH:13][cH:14]2)=[O:30])[n:6][cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 70297m-Chloroperbenzoic acidHCID 113174691-(4-(5-Bromopyrimidin-2-ylsulfanyl)phenyl)-3-(2-nitrobenzoyl)urea

Product 1

HCID 115476771-[4-(5-Bromopyrimidine-2-sulfinyl)phenyl]-3-(2-nitrobenzoyl)-urea

Sources & evidence

ORD record
ord-af159b4faf254d1cbaa0febd55773893
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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