Pyridine → Toluene-4-thiosulfonic acid S-(7-tert-butyl-2,3-dioxo-1,2,3,4-tetrahydro-quinoxalin-6-yl)ester

HRID 1204201Notes

Reaction equation

HRID 1204201 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[nH:8][c:9](=[O:17])[c:10](=[O:16])[nH:11][c:12]2[cH:13][c:14]1[SH:15].[CH3:35][CH2:36][O:37][C:38]([CH3:39])=[O:40].[S:18](=[O:19])(=[O:20])([c:21]1[cH:22][cH:23][c:24]([CH3:25])[cH:26][cH:27]1)[Br:28].[cH:29]1[cH:30][cH:31][n:32][cH:33][cH:34]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[nH:8][c:9](=[O:17])[c:10](=[O:16])[nH:11][c:12]2[cH:13][c:14]1[S:15][S:18](=[O:19])(=[O:20])[c:21]1[cH:22][cH:23][c:24]([CH3:25])[cH:26][cH:27]1

Participants

5

Reactant 4

HCID 1049PyridineHCID 8857Ethyl AcetateHCID 101308854-Methylbenzene-1-sulfonyl bromideHCID 225727956-tert-Butyl-7-mercapto-1,4-dihydro-quinoxaline-2,3-dione

Product 1

HCID 69735976Toluene-4-thiosulfonic acid S-(7-tert-butyl-2,3-dioxo-1,2,3,4-tetrahydro-quinoxalin-6-yl)ester

Sources & evidence

ORD record
ord-0df83159a5c7497e8d408ae5fc11f99d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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