Benzene → 1,3,4,9-Tetrahydro-1-ethyl-pyrano[3,4-b]indole-1-acetic Acid Ethyl Ester

HRID 205559

Reaction equation

HRID 205559 reaction equation
[C:13]([CH2:14][CH3:15])(=[O:16])[CH2:17][C:18](=[O:19])[O:20][CH2:21][CH3:22].[OH2:23].[OH:1][CH2:2][CH2:3][c:4]1[cH:5][nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12.[c:24]1([CH3:25])[cH:26][cH:27][c:28]([S:29]([OH:30])(=[O:31])=[O:32])[cH:33][cH:34]1.[cH:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[O:1]1[CH2:2][CH2:3][c:4]2[c:5]([nH:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]23)[C:13]1([CH2:14][CH3:15])[CH2:17][C:18](=[O:19])[O:20][CH2:21][CH3:22]

Participants

6

Reactant 5

HCID 241BenzeneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 10685TryptopholHCID 78656Ethyl 3-oxovalerate

Product 1

HCID 691981331,3,4,9-Tetrahydro-1-ethyl-pyrano[3,4-b]indole-1-acetic Acid Ethyl Ester

Sources & evidence

ORD record
ord-a5a20fa98e324334990f6cd4dfa0e40d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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