Acetic Acid → HCID 76834624, compound

HRID 2312750Notes

Reaction equation

HRID 2312750 reaction equation
[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH3:30])[C:5](=[O:29])[N:6]([CH:24]([CH:25]=[O:26])[CH2:27][CH3:28])[CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1.[CH2:31]1[CH2:32][O:33][CH2:34][CH2:35][NH:36]1.[CH3:37][C:38](=[O:39])[OH:40].[Na+:54]>>[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH3:30])[C:5](=[O:29])[N:6]([CH:24]([CH2:25][N:36]2[CH2:31][CH2:32][O:33][CH2:34][CH2:35]2)[CH2:27][CH3:28])[CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 8083MorpholineHCID 2724942TriacetoxyborohydrideHCID 768343742-[5-(3-Chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butanal

Product 1

HCID 76834624HCID 76834624, compound

Sources & evidence

ORD record
ord-2e887d8bef2a4cb29c7b05a55a60e6e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…