Acetic Acid → 2,3,4,5-tetrahydro-8-methyl-5-phenethyl-1H-pyrido[4,3-b]indole

Reaction equation

[CH3:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]([n:7]([CH2:11][CH2:12][c:13]4[cH:14][cH:15][cH:16][cH:17][cH:18]4)[c:8]2[cH:9][cH:10]1)[CH2:19][CH2:20][N:21]([C:23]([O:24][CH2:25][C:26]([Cl:27])([Cl:28])[Cl:29])=[O:30])[CH2:22]3.[CH3:36][C:37](=[O:38])[OH:39].[Na+:35].[O-:31][C:32]([OH:33])=[O:34]>>[CH3:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]([n:7]([CH2:11][CH2:12][c:13]4[cH:14][cH:15][cH:16][cH:17][cH:18]4)[c:8]2[cH:9][cH:10]1)[CH2:19][CH2:20][NH:21][CH2:22]3

Participants

Reactant 4

HCID 176Acetic Acid

HCID 769Bicarbonate Ion

HCID 923Sodium Ion

HCID 578759012,2,2-trichloroethyl 3,4-dihydro-8-methyl-5-phenethyl-1H-pyrido[4,3-b]indole-2(5H)-carboxylate

Product 1

HCID 578763102,3,4,5-tetrahydro-8-methyl-5-phenethyl-1H-pyrido[4,3-b]indole

Sources & evidence

ORD record: ord-90a16a8eaf764be1b436266aeba7ee17
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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