Heptane → 1,2-Dimethoxy-4-(4-Trifluoromethoxy-phenylethynyl)-benzene

HRID 208953Notes

Reaction equation

HRID 208953 reaction equation
[C:23](#[CH:24])[c:25]1[cH:26][c:27]([O:33][CH3:34])[c:28]([O:31][CH3:32])[cH:29][cH:30]1.[CH3:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41].[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([O:10][S:11]([c:12]2[cH:13][cH:14][c:15]([CH3:16])[cH:17][cH:18]2)(=[O:19])=[O:20])[cH:8][cH:9]1)([F:21])[F:22]>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([C:24]#[C:23][c:25]2[cH:26][c:27]([O:33][CH3:34])[c:28]([O:31][CH3:32])[cH:29][cH:30]2)[cH:8][cH:9]1)([F:21])[F:22]

Participants

4

Reactant 3

HCID 8900HeptaneHCID 36164214-Ethynyl-1,2-dimethoxybenzeneHCID 18424495Toluene-4-sulfonic acid 4-trifluoromethoxy-phenyl ester

Product 1

HCID 252217261,2-Dimethoxy-4-(4-Trifluoromethoxy-phenylethynyl)-benzene

Sources & evidence

ORD record
ord-c625ea5b9a024cb9b0624fea2c0dd452
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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