Toluene → 1,1-dimethylethyl 4-(3,4-dichlorophenyl)-5-(hydroxymethyl)-2-methyl-3,6-dihydro-1(2H)-pyridinecarboxylate

HRID 94416Notes

Reaction equation

HRID 94416 reaction equation
[Al+3:56].[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[Cl:1][c:2]1[cH:3][c:4]([C:9]2=[C:10]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[CH2:11][N:12]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH:13]([CH3:15])[CH2:14]2)[cH:5][cH:6][c:7]1[Cl:8].[Cl:28][c:29]1[cH:30][c:31]([C:32]2=[C:45]([C:46]([O:47][CH2:48][CH3:49])=[O:50])[CH:43]([CH3:44])[N:35]([C:36]([O:37][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[CH2:34][CH2:33]2)[cH:51][cH:52][c:53]1[Cl:54].[H-:55].[H-:58].[H-:59].[H-:60].[Li+:57]>>[Cl:1][c:2]1[cH:3][c:4]([C:9]2=[C:10]([CH2:23][OH:24])[CH2:11][N:12]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH:13]([CH3:15])[CH2:14]2)[cH:5][cH:6][c:7]1[Cl:8]

Participants

8

Reactant 7

HCID 1140TolueneHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 59255992HCID 59255992, compoundHCID 592560481-(1,1-dimethylethyl) 3-ethyl 4-(3,4-dichlorophenyl)-2-methyl-5,6-dihydro-1,3(2H)-pyridinedicarboxylate

Product 1

HCID 592560311,1-dimethylethyl 4-(3,4-dichlorophenyl)-5-(hydroxymethyl)-2-methyl-3,6-dihydro-1(2H)-pyridinecarboxylate

Sources & evidence

ORD record
ord-82dd09c742714893b8d1246dffa27255
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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