Acetic Acid → HCID 15512565, compound

HRID 283669Notes

Reaction equation

HRID 283669 reaction equation
[CH2:30]1[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1.[CH3:36][C:37](=[O:38])[OH:39].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]2[c:10]([cH:11]1)[O:9][CH2:8][O:7]2.[OH2:47].[OH:12][c:13]1[c:14]([C:23]([CH2:24][C:25](=[O:26])[O:27][CH3:28])=[O:29])[cH:15][c:16]([O:19][CH:20]([CH3:21])[CH3:22])[cH:17][cH:18]1>>[CH:1]1([c:3]2[cH:4][cH:5][c:6]3[c:10]([cH:11]2)[O:9][CH2:8][O:7]3)[O:2][c:13]2[c:14]([cH:15][c:16]([O:19][CH:20]([CH3:21])[CH3:22])[cH:17][cH:18]2)[C:23](=[O:29])[CH:24]1[C:25](=[O:26])[O:27][CH3:28]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 962WaterHCID 1140TolueneHCID 8082PiperidineHCID 8438PiperonalHCID 15512564HCID 15512564, compound

Product 1

HCID 15512565HCID 15512565, compound

Sources & evidence

ORD record
ord-f05fa31c1ed14c08ad9a7ea4ad8d447b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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