Bromide ion → HCID 178434886, compound

HRID 1553383Notes

Reaction equation

HRID 1553383 reaction equation
[Br-:35].[CH2:30]1[O:31][CH2:32][CH2:33][CH2:34]1.[CH3:36][Mg+:37].[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[Cl:1][c:2]1[cH:3][c:4]([S:9](=[O:10])(=[O:11])[N:12]2[CH:13]([CH2:19][C:20](=[O:21])[N:22]3[CH2:23][CH2:24][C:25](=[O:29])[CH2:26][CH2:27][CH2:28]3)[C:14](=[O:18])[NH:15][CH:16]=[CH:17]2)[cH:5][cH:6][c:7]1[Cl:8].[Na+:55].[Na+:56].[OH2:38].[OH2:39].[OH2:40].[OH2:41].[OH2:42].[OH2:43].[OH2:44].[OH2:45].[OH2:46].[OH2:47].[OH2:48].[OH2:49].[S:50]([O-:51])([O-:52])(=[O:53])=[O:54]>>[Cl:1][c:2]1[cH:3][c:4]([S:9](=[O:10])(=[O:11])[N:12]2[CH:13]([CH2:19][C:20](=[O:21])[N:22]3[CH2:23][CH2:24][C:25]([OH:29])([CH3:30])[CH2:26][CH2:27][CH2:28]3)[C:14](=[O:18])[NH:15][CH:16]=[CH:17]2)[cH:5][cH:6][c:7]1[Cl:8]

Participants

9

Reactant 8

HCID 259Bromide ionHCID 923Sodium ion2×HCID 962Water12×HCID 1117Sulfate IonHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 68678831HCID 68678831, compoundHCID 178477777HCID 178477777, compound

Product 1

HCID 178434886HCID 178434886, compound

Sources & evidence

ORD record
ord-60b96361a1cd454d908f45c982b1b3bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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