Sodium ion → 3-(3-{2-[3-(2-Ethoxycarbonyl-2-methyl-propyl)-phenyl]-[1,3]dithian-2-yl}-phenyl)-2,2-dimethyl-propanoic acid ethyl ester

HRID 99072

Reaction equation

HRID 99072 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH2:6][c:7]1[cH:8][c:9]([C:13]([c:14]2[cH:15][c:16]([CH2:20][C:21]([CH3:22])([CH3:23])[C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:17][cH:18][cH:19]2)=[O:29])[cH:10][cH:11][cH:12]1)([CH3:30])[CH3:31])=[O:32].[CH2:33]([CH2:34][CH2:35][SH:36])[SH:37].[Cl:40][CH2:41][Cl:42].[Na+:39].[OH-:38]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH2:6][c:7]1[cH:8][c:9]([C:13]2([c:14]3[cH:15][c:16]([CH2:20][C:21]([CH3:22])([CH3:23])[C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:17][cH:18][cH:19]3)[S:36][CH2:35][CH2:34][CH2:33][S:37]2)[cH:10][cH:11][cH:12]1)([CH3:30])[CH3:31])=[O:32]

Participants

6

Reactant 5

HCID 923Sodium ionHCID 961HydroxideHCID 6344DichloromethaneHCID 80131,3-PropanedithiolHCID 112591923-{3-[3-(2-Ethoxycarbonyl-2-methylpropyl)-benzoyl]phenyl}-2,2-dimethylpropionic acid ethyl ester

Product 1

HCID 113185153-(3-{2-[3-(2-Ethoxycarbonyl-2-methyl-propyl)-phenyl]-[1,3]dithian-2-yl}-phenyl)-2,2-dimethyl-propanoic acid ethyl ester

Sources & evidence

ORD record
ord-fca323433e0f49969f28a103d02f9512
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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