Ethanol → 4-[4-(1-Benzyloxycyclopropyl)-3-ethyl-phenylethynyl]-benzoic acid

HRID 673089

Reaction equation

HRID 673089 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][c:15]([CH2:30][CH3:31])[c:16]([C:19]3([O:22][CH2:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[CH2:20][CH2:21]3)[cH:17][cH:18]2)[cH:9][cH:10]1)=[O:32].[CH3:35][CH2:36][OH:37].[Na+:34].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH-:33]>>[O:3]=[C:4]([c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][c:15]([CH2:30][CH3:31])[c:16]([C:19]3([O:22][CH2:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[CH2:20][CH2:21]3)[cH:17][cH:18]2)[cH:9][cH:10]1)[OH:32]

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 22568992Ethyl4-[4-(1-benzyloxycyclopropyl)-3-ethyl-phenylethynyl]-benzoate

Product 1

HCID 102720784-[4-(1-Benzyloxycyclopropyl)-3-ethyl-phenylethynyl]-benzoic acid

Sources & evidence

ORD record
ord-7445a533b0cd4fc9baa1af7494fa35d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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