Calcium Cation → HCID 15072434, compound

HRID 98772Notes

Reaction equation

HRID 98772 reaction equation
[CH3:26][CH:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1.[CH3:33][CH2:34][OH:35].[Ca+2:21].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][c:9]([O:12][CH3:13])[cH:10][cH:11]2)[cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]1.[O-:22][C:23](=[O:24])[O-:25]>>[c:2]1([N:30]2[CH2:29][CH2:28][CH:27]([CH3:26])[CH2:32][CH2:31]2)[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][c:9]([O:12][CH3:13])[cH:10][cH:11]2)[cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]1

Participants

6

Reactant 5

HCID 271Calcium CationHCID 702EthanolHCID 19660Carbonate IonHCID 693814-MethylpiperidineHCID 885157(2-Chloro-5-nitrophenyl)(4-methoxyphenyl)methanone

Product 1

HCID 15072434HCID 15072434, compound

Sources & evidence

ORD record
ord-14fbeaec696d44f39af6c6a8ede87fac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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