Calcium Cation → HCID 58577344, compound

HRID 123615Notes

Reaction equation

HRID 123615 reaction equation
[CH2:12]([CH3:13])[n:14]1[c:15](=[O:30])[n:16](-[c:23]2[cH:24][cH:25][c:26]([OH:29])[cH:27][cH:28]2)[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]12.[Ca+2:34].[Cl-:33].[Cl-:35].[Cl:1][c:2]1[n:3][c:4]2[c:5]([n:6][cH:7][cH:8][cH:9]2)[n:10]1[CH3:11].[ClH:36].[H-:32].[Na+:31].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[c:2]1([O:29][c:26]2[cH:25][cH:24][c:23](-[n:16]3[c:15](=[O:30])[n:14]([CH2:12][CH3:13])[c:22]4[c:17]3[n:18][cH:19][cH:20][cH:21]4)[cH:28][cH:27]2)[n:3][c:4]2[c:5]([n:6][cH:7][cH:8][cH:9]2)[n:10]1[CH3:11]

Participants

9

Reactant 8

HCID 271Calcium CationHCID 312Chloride2×HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 166653HydrideHCID 108209862-Chloro-3-methyl-3H-imidazo[4,5-b]pyridineHCID 585777461-ethyl-3-(4-hydroxyphenyl)-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

Product 1

HCID 58577344HCID 58577344, compound

Sources & evidence

ORD record
ord-05dbe7697c6940a1867aac1b0d4d0f68
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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