Calcium Cation → HCID 15072472, compound

HRID 149355

Reaction equation

HRID 149355 reaction equation
[CH3:32][CH2:33][OH:34].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[Ca+2:20].[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-:21][C:22](=[O:23])[O-:24].[OH:25][CH:26]1[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1>>[c:2]1([N:29]2[CH2:28][CH2:27][CH:26]([OH:25])[CH2:31][CH2:30]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

7

Reactant 6

HCID 271Calcium CationHCID 702EthanolHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 79341Piperidin-4-olHCID 875720(2-Chloro-5-nitro-phenyl)-(4-chloro-phenyl)-methanone

Product 1

HCID 15072472HCID 15072472, compound

Sources & evidence

ORD record
ord-234e3cb572db47959aea6829ede4575c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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