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Methanol → {4-[5-(Cyclopropyl-methyl-amino)-4-methoxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl]-2-fluoro-phenyl}-acetic acid

HRID 1555688
Notes
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Reaction equation

HRID 1555688 reaction equation
[CH3:1][O:2][C:3]([CH2:4][c:5]1[c:6]([F:32])[cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][c:15]3[c:20]([c:21]([O:23][CH3:24])[cH:22]2)[CH:19]([N:25]([CH3:26])[CH:27]2[CH2:28][CH2:29]2)[CH2:18][CH2:17][C:16]3([CH3:30])[CH3:31])[cH:9][cH:10]1)=[O:33].[CH3:36][OH:37].[Li+:34].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH-:35]>>[O:2]=[C:3]([CH2:4][c:5]1[c:6]([F:32])[cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][c:15]3[c:20]([c:21]([O:23][CH3:24])[cH:22]2)[CH:19]([N:25]([CH3:26])[CH:27]2[CH2:28][CH2:29]2)[CH2:18][CH2:17][C:16]3([CH3:30])[CH3:31])[cH:9][cH:10]1)[OH:33]
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 887MethanolHCID 961HydroxideHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 69074012{4-[5-(Cyclopropyl-methyl-amino)-4-methoxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl]-2-fluoro-phenyl}-acetic acid methyl ester

Product 1

HCID 21107177
{4-[5-(Cyclopropyl-methyl-amino)-4-methoxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl]-2-fluoro-phenyl}-acetic acid

Sources & evidence

ORD record
ord-100be32a28964157811d3601b6bd2c0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes