Ethanol → 4-(1-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-6-yl-ethynyl)-benzoic Acid

HRID 203766

Reaction equation

HRID 203766 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]3[c:20]([cH:21][cH:22]2)[N:19]([CH:23]2[CH2:24][CH2:25]2)[CH2:18][CH2:17][C:16]3([CH3:26])[CH3:27])[cH:9][cH:10]1)=[O:28].[CH3:31][CH2:32][OH:33].[Na+:30].[OH-:29]>>[O:3]=[C:4]([c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][c:15]3[c:20]([cH:21][cH:22]2)[N:19]([CH:23]2[CH2:24][CH2:25]2)[CH2:18][CH2:17][C:16]3([CH3:26])[CH3:27])[cH:9][cH:10]1)[OH:28]

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 695488784-(1-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-quinolin-6-yl-ethynyl)-benzoic acid ethyl ester

Product 1

HCID 98411254-(1-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-6-yl-ethynyl)-benzoic Acid

Sources & evidence

ORD record
ord-313fd9a0f39f4a2780f612f6aea89a58
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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