Sodium ion → 1-[4'-(4"-Chlorophenyl)phenyl]-3,3-dicarboethoxy-1-oxo-7-phenylheptane

HRID 106091Notes

Reaction equation

HRID 106091 reaction equation
[C:1](=[O:2])([O:3][CH2:4][CH3:5])[CH:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[CH2:12][C:13](=[O:14])[c:15]1[cH:16][cH:17][c:18](-[c:21]2[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[cH:19][cH:20]1.[CH3:29][CH2:30][O-:31].[CH3:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[Na+:28].[c:32]1([CH2:38][CH2:39][CH2:40][CH2:41][I:42])[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[C:1](=[O:2])([O:3][CH2:4][CH3:5])[C:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])([CH2:12][C:13](=[O:14])[c:15]1[cH:16][cH:17][c:18](-[c:21]2[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[cH:19][cH:20]1)[CH2:41][CH2:40][CH2:39][CH2:38][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 80711,2-DimethoxyethaneHCID 1194401-Hydroxyethyl radicalHCID 12709818(4-Iodobutyl)benzeneHCID 22116404Ethyl 2-carboethoxy-4[4'-(4"-chlorophenyl)phenyl]-4-oxobutanoate

Product 1

HCID 543714311-[4'-(4"-Chlorophenyl)phenyl]-3,3-dicarboethoxy-1-oxo-7-phenylheptane

Sources & evidence

ORD record
ord-fc722e8ddac84397bc501684b6f4fdda
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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