Dimethylformamide → Chloride

HRID 103177Notes

Reaction equation

HRID 103177 reaction equation
[CH2:29]([CH3:30])[N:31]1[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1.[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[C:12]2=[CH:13][c:14]3[cH:15][c:16](-[c:22]4[cH:23][cH:24][c:25]([CH3:28])[cH:26][cH:27]4)[cH:17][cH:18][c:19]3[CH2:20][CH2:21]2)[cH:7][cH:8]1.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[C:12]2=[CH:13][c:14]3[cH:15][c:16](-[c:22]4[cH:23][cH:24][c:25]([CH3:28])[cH:26][cH:27]4)[cH:17][cH:18][c:19]3[CH2:20][CH2:21]2)[cH:7][cH:8]1)[N+:31]1([CH2:29][CH3:30])[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1.[Cl-:1]

Participants

6

Reactant 4

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 5355851-EthylazepaneHCID 18472361N-[4-(chloromethyl)phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamide

Product 2

HCID 312ChlorideHCID 18472258N-[4-[(1-ethylazepan-1-ium-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamide

Sources & evidence

ORD record
ord-8b7dc5743f1c4e0a993a2e19d6fb3b9c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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