Calcium Cation → HCID 58577597, compound

HRID 291934Notes

Reaction equation

HRID 291934 reaction equation
[Br:1][CH2:2][C:3](=[O:4])[O:5][CH2:6][CH3:7].[CH3:46][OH:47].[Ca+2:39].[Cl-:38].[Cl-:40].[H-:36].[Na+:37].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[nH:8]1[c:9]([O:17][c:18]2[cH:19][cH:20][c:21](-[n:24]3[c:25](=[O:35])[n:26]([CH2:33][CH3:34])[c:27]4[c:28]3[n:29][cH:30][cH:31][cH:32]4)[cH:22][cH:23]2)[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2>>[CH2:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])[n:8]1[c:9]([O:17][c:18]2[cH:19][cH:20][c:21](-[n:24]3[c:25](=[O:35])[n:26]([CH2:33][CH3:34])[c:27]4[c:28]3[n:29][cH:30][cH:31][cH:32]4)[cH:22][cH:23]2)[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2

Participants

9

Reactant 8

HCID 271Calcium CationHCID 312Chloride2×HCID 887MethanolHCID 923Sodium ionHCID 6228DimethylformamideHCID 7748Ethyl bromoacetateHCID 166653HydrideHCID 585774113-[4-(1H-benzimidazol-2-yloxy)phenyl]-1-ethyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

Product 1

HCID 58577597HCID 58577597, compound

Sources & evidence

ORD record
ord-b3dd7aac46b14c8da4ce7b9237d5e091
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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