Calcium Cation → HCID 20193522, compound

HRID 2339064Notes

Reaction equation

HRID 2339064 reaction equation
[CH3:20][CH:21]1[CH2:22][NH:23][CH2:24][CH:25]([CH3:27])[CH2:26]1.[CH3:33][CH2:34][OH:35].[Ca+2:28].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][c:9]([Cl:12])[cH:10][cH:11]2)[cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]1.[O-:29][C:30](=[O:31])[O-:32]>>[c:2]1([N:23]2[CH2:22][CH:21]([CH3:20])[CH2:26][CH:25]([CH3:27])[CH2:24]2)[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][c:9]([Cl:12])[cH:10][cH:11]2)[cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]1

Participants

6

Reactant 5

HCID 271Calcium CationHCID 702EthanolHCID 19660Carbonate IonHCID 1182593,5-DimethylpiperidineHCID 875720(2-Chloro-5-nitro-phenyl)-(4-chloro-phenyl)-methanone

Product 1

HCID 20193522HCID 20193522, compound

Sources & evidence

ORD record
ord-a4f2b8f663d8467b9ef3626ad112d668
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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