Bicarbonate Ion → 4-{1-Ethyl-1-[4-(3-ethyl-3-hydroxy-1-pentynyl)-3-methyl-phenyl]-propyl}-2,6-dimethyl-phenol

HRID 85944

Reaction equation

HRID 85944 reaction equation
[Br:12][c:13]1[c:14]([CH3:33])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([CH2:22][CH3:23])[c:24]2[cH:25][c:26]([CH3:32])[c:27]([OH:31])[c:28]([CH3:30])[cH:29]2)[cH:17][cH:18]1.[C:34](=[O:35])([OH:36])[O-:37].[CH2:1]([CH3:2])[C:3]([C:4]#[CH:5])([CH2:6][CH3:7])[OH:8].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl:9][CH2:10][Cl:11].[Cu:46][I:47].[Na+:38]>>[CH2:1]([CH3:2])[C:3]([C:4]#[C:5][c:13]1[c:14]([CH3:33])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([CH2:22][CH3:23])[c:24]2[cH:25][c:26]([CH3:32])[c:27]([OH:31])[c:28]([CH3:30])[cH:29]2)[cH:17][cH:18]1)([CH2:6][CH3:7])[OH:8]

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 8471TriethylamineHCID 226983-Ethyl-1-pentyn-3-olHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 574847624-[1-(4-Bromo-3-methyl-phenyl)-1-ethyl-propyl]-2,6-dimethyl-phenol

Product 1

HCID 574434904-{1-Ethyl-1-[4-(3-ethyl-3-hydroxy-1-pentynyl)-3-methyl-phenyl]-propyl}-2,6-dimethyl-phenol

Sources & evidence

ORD record
ord-3f269c47133c4ca58626337d60aa15ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

Loading…