Acetone → methyl N-(3,3-diphenylpropyl)-N-hydroxy-2-aminoethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate

HRID 91807Notes

Reaction equation

HRID 91807 reaction equation
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:25][C:26]1=[C:31]([C:32](=[O:33])[O:34][CH3:35])[CH:30]([c:36]2[cH:37][c:38]([N+:42](=[O:43])[O-:44])[cH:39][cH:40][cH:41]2)[C:29]([C:45](=[O:46])[O:47][CH2:48][CH2:49][Br:50])=[C:28]([CH3:51])[NH:27]1.[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH3:58][C:59](=[O:60])[CH3:61].[CH3:62][CH2:63][O:64][CH2:65][CH3:66].[ClH:52].[OH2:67].[OH:8][NH:9][CH2:10][CH2:11][CH:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[OH:8][N:9]([CH2:10][CH2:11][CH:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH2:49][CH2:48][O:47][C:45]([C:29]1=[C:28]([CH3:51])[NH:27][C:26]([CH3:25])=[C:31]([C:32](=[O:33])[O:34][CH3:35])[CH:30]1[c:36]1[cH:37][c:38]([N+:42](=[O:43])[O-:44])[cH:39][cH:40][cH:41]1)=[O:46]

Participants

9

Reactant 8

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 962WaterHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 8471TriethylamineHCID 13370972HCID 13370972, compoundHCID 22158922HCID 22158922, compound

Product 1

HCID 86741862methyl N-(3,3-diphenylpropyl)-N-hydroxy-2-aminoethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate

Sources & evidence

ORD record
ord-7363b7b5d24c451db655ba96674d4e10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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