AGN 193109 Ethyl Ester → Ethyl 4-[(7,8-dihydro-8,8-dimethyl-5-phenylnaphth-3-yl)ethynyl]benzoate

HRID 1536312Notes

Reaction equation

HRID 1536312 reaction equation
[CH3:1][C:2]1([CH3:32])[c:3]2[cH:4][cH:5][c:6]([C:19]#[C:20][c:21]3[cH:22][cH:23][c:24]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:30][cH:31]3)[cH:7][c:8]2[C:9]([c:12]2[cH:13][cH:14][c:15]([CH3:18])[cH:16][cH:17]2)=[CH:10][CH2:11]1.[CH3:33][C:34]1([CH3:35])[CH2:36][CH:37]=[C:38]([O:39][S:40]([C:41]([F:42])([F:43])[F:44])(=[O:45])=[O:46])[c:47]2[cH:48][c:49]([C:50]#[C:51][c:52]3[cH:53][cH:54][c:55]([C:56]([O:57][CH2:58][CH3:59])=[O:60])[cH:61][cH:62]3)[cH:63][cH:64][c:65]21>>[CH3:1][C:2]1([CH3:32])[c:3]2[cH:4][cH:5][c:6]([C:19]#[C:20][c:21]3[cH:22][cH:23][c:24]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:30][cH:31]3)[cH:7][c:8]2[C:9]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[CH:10][CH2:11]1

Participants

3

Reactant 2

HCID 11796412AGN 193109 Ethyl EsterHCID 120176384-[2-[5,6-Dihydro-5,5-dimethyl-8-[[(trifluoromethyl)sulfonyl]oxy]-2-naphthalenyl]ethynyl]benzoic acid ethyl ester

Product 1

HCID 15430594Ethyl 4-[(7,8-dihydro-8,8-dimethyl-5-phenylnaphth-3-yl)ethynyl]benzoate

Sources & evidence

ORD record
ord-c234cd2e17564413a17b7ae42d629fb4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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