Acetone → RS-93522

HRID 1232609Notes

Reaction equation

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

Participants

Reactant 4

HCID 180Acetone

HCID 313Hydrochloric Acid

HCID 962Water

HCID 136325642,6-Dimethyl-3-methoxycarbonyl-4-(3-nitrophenyl)-5-(2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)methoxyphenyl]ethoxycarbonyl)-1,4-dihydropyridine

Product 1

HCID 128487RS-93522

Sources & evidence

ORD record: ord-a7a4a52272b6415ca1570971c411d59d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…