Methyl iodide → Iodide Ion

HRID 1150441Notes

Reaction equation

HRID 1150441 reaction equation
[CH3:35][C:36]#[N:37].[Cl:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][N:9]2[CH2:10][CH2:11][CH:12]([CH2:15][NH:16][C:17]([CH2:18][NH:19][C:20]([c:21]3[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]3)=[O:31])=[O:32])[CH2:13][CH2:14]2)[cH:33][cH:34]1.[I:1][CH3:2]>>[CH3:2][N+:9]1([CH2:8][c:7]2[cH:6][cH:5][c:4]([Cl:3])[cH:34][cH:33]2)[CH2:10][CH2:11][CH:12]([CH2:15][NH:16][C:17]([CH2:18][NH:19][C:20]([c:21]2[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]2)=[O:31])=[O:32])[CH2:13][CH2:14]1.[I-:1]

Participants

5

Reactant 3

HCID 6328Methyl iodideHCID 6342AcetonitrileHCID 508750N-({[1-(4-Chloro-benzyl)-piperidin-4-ylmethyl]-carbamoyl}-methyl)-3-trifluoromethyl-benzamide

Product 2

HCID 30165Iodide IonHCID 18426213N-[2-[[1-[(4-chlorophenyl)methyl]-1-methylpiperidin-1-ium-4-yl]methylamino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

Sources & evidence

ORD record
ord-7935a8f44fbd415c9e950938a8dd867e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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