Toluene → Ethyl 4-chloro-5-hydroxy-1-(2,2,2-trifluoroethyl)-1H-indole-2-carboxylate

HRID 308032Notes

Reaction equation

HRID 308032 reaction equation
[C:21]([NH2:22])([CH3:23])([CH3:24])[CH3:25].[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[OH:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[n:7]([CH2:11][C:12]([F:13])([F:14])[F:15])[c:8]2[cH:9][cH:10]1.[S:26]([Cl:27])(=[O:28])([Cl:29])=[O:30]>>[OH:1][c:2]1[c:3]([Cl:29])[c:4]2[cH:5][c:6]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[n:7]([CH2:11][C:12]([F:13])([F:14])[F:15])[c:8]2[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6385Tert-ButylamineHCID 24648Sulfuryl chlorideHCID 24985291Ethyl 5-hydroxy-1-(2,2,2-trifluoroethyl)-1H-indole-2-carboxylate

Product 1

HCID 57800334Ethyl 4-chloro-5-hydroxy-1-(2,2,2-trifluoroethyl)-1H-indole-2-carboxylate

Sources & evidence

ORD record
ord-92e9e0e757cd4784a455a7d9d52bcbac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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