Iodoethane → Iodide Ion

HRID 684057Notes

Reaction equation

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

Participants

Reactant 3

HCID 6340Iodoethane

HCID 6342Acetonitrile

HCID 53988844HCID 53988844, compound

Product 2

HCID 30165Iodide Ion

HCID 19063888[1-[[4-(Cyclopropylmethoxy)phenyl]methyl]-1-ethoxypiperidin-1-ium-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol

Sources & evidence

ORD record: ord-dd21a5537ca74f71b26ca568c2edfb3c
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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