Sodium Ion → Ethyl [3-[(4-chlorophenyl)methyl]-2-(1-methylethyl)-3,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-4-yl]acetate

Reaction equation

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

Participants

Reactant 4

HCID 923Sodium Ion

HCID 6342Acetonitrile

HCID 30165Iodide Ion

HCID 58460233Ethyl [3-[(4-chlorophenyl)methyl]-4-hydroxy-2-(1-methylethyl)-3,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-4-yl]acetate

Product 1

HCID 58460173Ethyl [3-[(4-chlorophenyl)methyl]-2-(1-methylethyl)-3,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-4-yl]acetate

Sources & evidence

ORD record: ord-c708cbd4b83b4f989e0bbb6ed2d61c1a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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