Iodide Ion → 4-(1-{4-[3-(2,6-dichloro-phenyl)-5-isopropyl-3H-[1,2,3]triazol-4-ylmethoxy]-2-methyl-phenyl}-1-methyl-ethylsulfanyl)-benzoic acid methyl ester

HRID 2140813Notes

Reaction equation

HRID 2140813 reaction equation
[Cl:1][c:2]1[c:3](-[n:9]2[n:10][n:11][c:12]([CH:27]([CH3:28])[CH3:29])[c:13]2[CH2:14][O:15][c:16]2[cH:17][c:18]([CH3:26])[c:19]([C:22]([CH3:23])([CH3:24])[OH:25])[cH:20][cH:21]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[I-:41].[I-:43].[SH:30][c:31]1[cH:32][cH:33][c:34]([C:35](=[O:36])[O:37][CH3:38])[cH:39][cH:40]1.[Zn+2:42]>>[Cl:1][c:2]1[c:3](-[n:9]2[n:10][n:11][c:12]([CH:27]([CH3:28])[CH3:29])[c:13]2[CH2:14][O:15][c:16]2[cH:17][c:18]([CH3:26])[c:19]([C:22]([CH3:23])([CH3:24])[S:30][c:31]3[cH:32][cH:33][c:34]([C:35](=[O:36])[O:37][CH3:38])[cH:39][cH:40]3)[cH:20][cH:21]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 30165Iodide Ion2×HCID 32051Zinc(2+)HCID 237573Methyl 4-sulfanylbenzoateHCID 667041762-{4-[3-(2,6-Dichloro-phenyl)-5-isopropyl-3H-[1,2,3]triazol-4-ylmethoxy]-2-methyl-phenyl}-propan-2-ol

Product 1

HCID 667041554-(1-{4-[3-(2,6-dichloro-phenyl)-5-isopropyl-3H-[1,2,3]triazol-4-ylmethoxy]-2-methyl-phenyl}-1-methyl-ethylsulfanyl)-benzoic acid methyl ester

Sources & evidence

ORD record
ord-8e73c286406b43ef9fb86caccacd53d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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