Hexane → HCID 6625404, compound

HRID 1557752Notes

Reaction equation

HRID 1557752 reaction equation
[C:30]([O:31][CH2:32][CH3:33])(=[O:34])[CH3:35].[CH3:17][CH2:18][O:19][C:20](=[O:21])[C:22]#[CH:23].[CH3:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29].[NH2:1][c:2]1[c:3]([S:8][S:9][NH:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:4][cH:5][cH:6][cH:7]1>>[NH:1]1[c:2]2[c:3]([cH:4][cH:5][cH:6][cH:7]2)[S:8][C:22]([C:20]([O:19][CH2:18][CH3:17])=[O:21])=[CH:23]1

Participants

5

Reactant 4

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 12182Ethyl propiolateHCID 85942866HCID 85942866, compound

Product 1

HCID 6625404HCID 6625404, compound

Sources & evidence

ORD record
ord-ba181452ad244ed2b1b5725ad0ef5783
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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