Sodium ion → HCID 10874409, compound

HRID 692113Notes

Reaction equation

HRID 692113 reaction equation
[Br:17][c:18]1[cH:19][c:20]([CH2:21][Br:22])[cH:23][cH:24][c:25]1[O:26][C:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)=[O:34].[C:3](#[N:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][n:12]2[cH:13][n:14][n:15][cH:16]2)[cH:9][cH:10]1.[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[H-:2].[Na+:1].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39]>>[C:3](#[N:4])[c:5]1[cH:6][cH:7][c:8]([N:11]([n:12]2[cH:13][n:14][n:15][cH:16]2)[CH2:21][c:20]2[cH:19][c:18]([Br:17])[c:25]([O:26][C:27]([c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)=[O:34])[cH:24][cH:23]2)[cH:9][cH:10]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 10307909Benzonitrile, 4-(4H-1,2,4-triazol-4-ylamino)-HCID 219769112-Bromo-4-(bromomethyl)phenyl benzoate

Product 1

HCID 10874409HCID 10874409, compound

Sources & evidence

ORD record
ord-ff23aae8422e416eb26c6c017f1dd325
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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