Methanol → Iodide Ion

HRID 201708Notes

Reaction equation

HRID 201708 reaction equation
[CH3:32][OH:33].[Cl:1][c:2]1[cH:3][c:4]([CH:9]=[CH:10][C:11](=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([CH2:21][CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[C:17](=[O:20])[CH2:18][CH2:19]2)[cH:5][cH:6][c:7]1[Cl:8].[I:30][CH3:31]>>[Cl:1][c:2]1[cH:3][c:4]([CH:9]=[CH:10][C:11](=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([CH2:21][CH2:22][CH2:23][N+:24]3([CH3:31])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[C:17](=[O:20])[CH2:18][CH2:19]2)[cH:5][cH:6][c:7]1[Cl:8].[I-:30]

Participants

5

Reactant 3

HCID 887MethanolHCID 6328Methyl iodideHCID 684319851-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one

Product 2

HCID 30165Iodide IonHCID 684328021-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-4-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-1,4-diazepan-5-one

Sources & evidence

ORD record
ord-4896bf1ba35145648c50247c9e203aed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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