tert-Butanol → HCID 12875899, compound

HRID 669565Notes

Reaction equation

HRID 669565 reaction equation
[C:31]([OH:32])([CH3:33])([CH3:34])[CH3:35].[Cl:19][c:20]1[n:21][cH:22][cH:23][c:24]2[c:25]1[cH:26][c:27]([C:29]#[N:30])[s:28]2.[OH:1][CH2:2][CH:3]([CH2:4][NH:5][CH2:6][CH2:7][c:8]1[cH:9][c:10]([O:16][CH3:17])[c:11]([O:14][CH3:15])[cH:12][cH:13]1)[OH:18]>>[O:1]([CH2:2][CH:3]([CH2:4][NH:5][CH2:6][CH2:7][c:8]1[cH:9][c:10]([O:16][CH3:17])[c:11]([O:14][CH3:15])[cH:12][cH:13]1)[OH:18])[c:20]1[n:21][cH:22][cH:23][c:24]2[c:25]1[cH:26][c:27]([C:29]#[N:30])[s:28]2

Participants

4

Reactant 3

HCID 6386tert-ButanolHCID 10845511HCID 10845511, compoundHCID 12875895HCID 12875895, compound

Product 1

HCID 12875899HCID 12875899, compound

Sources & evidence

ORD record
ord-95b44cf838ba466ab041a1ee5475ebfd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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