Potassium Cation → HCID 11339806, compound

HRID 1218800Notes

Reaction equation

[CH3:1][O:2][C:3]([C:4]([CH3:5])([CH3:6])[c:7]1[cH:8][cH:9][c:10]([C:13]#[C:14][c:15]2[cH:16][c:17]3[c:22]([c:23]([CH:25]([CH3:26])[CH3:27])[cH:24]2)[O:21][C:20]([CH2:28][CH3:29])([CH2:30][CH3:31])[CH2:19][C:18]3([CH3:32])[CH3:33])[cH:11][cH:12]1)=[O:34].[CH3:38][OH:39].[CH3:45][C:46]#[N:47].[K+:36].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH-:35].[OH2:37]>>[O:2]=[C:3]([C:4]([CH3:5])([CH3:6])[c:7]1[cH:8][cH:9][c:10]([C:13]#[C:14][c:15]2[cH:16][c:17]3[c:22]([c:23]([CH:25]([CH3:26])[CH3:27])[cH:24]2)[O:21][C:20]([CH2:28][CH3:29])([CH2:30][CH3:31])[CH2:19][C:18]3([CH3:32])[CH3:33])[cH:11][cH:12]1)[OH:34]

Participants

Reactant 7

HCID 813Potassium Cation

HCID 887Methanol

HCID 961Hydroxide

HCID 962Water

HCID 6342Acetonitrile

HCID 8028Tetrahydrofuran

HCID 690761702-[4-(2,2-Diethyl-8-isopropyl-4,4-dimethyl-chroman-6-ylethynyl)-phenyl]-2-methyl-propionic acid methyl ester

Product 1

HCID 11339806HCID 11339806, compound

Sources & evidence

ORD record: ord-30e13281246a4824a1bcd20c8756999b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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