Methanol → [4-(5-(Cyclopropyl-methyl-amino)-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalene-2-yl-ethynyl)-2-fluoro-phenyl]-acetic Acid

HRID 118787Notes

Reaction equation

HRID 118787 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[c:7]([F:31])[cH:8][c:9]([C:12]#[C:13][c:14]2[cH:15][c:16]3[c:21]([cH:22][cH:23]2)[CH:20]([N:24]([CH3:25])[CH:26]2[CH2:27][CH2:28]2)[CH2:19][CH2:18][C:17]3([CH3:29])[CH3:30])[cH:10][cH:11]1)=[O:32].[CH3:33][OH:34].[Li+:42].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH-:41].[OH2:40].[OH2:43]>>[O:3]=[C:4]([CH2:5][c:6]1[c:7]([F:31])[cH:8][c:9]([C:12]#[C:13][c:14]2[cH:15][c:16]3[c:21]([cH:22][cH:23]2)[CH:20]([N:24]([CH3:25])[CH:26]2[CH2:27][CH2:28]2)[CH2:19][CH2:18][C:17]3([CH3:29])[CH3:30])[cH:10][cH:11]1)[OH:32]

Participants

7

Reactant 6

HCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 69548400HCID 69548400, compound

Product 1

HCID 10201310[4-(5-(Cyclopropyl-methyl-amino)-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalene-2-yl-ethynyl)-2-fluoro-phenyl]-acetic Acid

Sources & evidence

ORD record
ord-3d9efea6197c4b4896116309576d3c9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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