Tetrahydrofuran → 1-(1H-1,2,4-triazol-1-yl)-2-isopropoxy-2-(2,4-dichlorophenyl)pentane

HRID 698259Notes

Reaction equation

HRID 698259 reaction equation
[Cl:11][c:12]1[c:13]([C:19]([CH2:20][OH:21])([CH2:22][CH2:23][CH3:24])[O:25][CH:26]([CH3:27])[CH3:28])[cH:14][cH:15][c:16]([Cl:18])[cH:17]1.[N:1]([C:2]([O:3][CH3:4])=[O:5])=[N:6][C:7]([O:8][CH3:9])=[O:10].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[c:29]1([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:43][cH:44][cH:45][cH:46][cH:47]1.[nH:48]1[n:49][cH:50][n:51][cH:52]1>>[Cl:11][c:12]1[c:13]([C:19]([CH2:20][n:48]2[n:49][cH:50][n:51][cH:52]2)([CH2:22][CH2:23][CH3:24])[O:25][CH:26]([CH3:27])[CH3:28])[cH:14][cH:15][c:16]([Cl:18])[cH:17]1

Participants

6

Reactant 5

HCID 8028TetrahydrofuranHCID 92571H-1,2,4-TriazoleHCID 11776TriphenylphosphineHCID 351621Azodicarboxylic acid dimethyl esterHCID 230397132-(2,4-Dichlorophenyl)-2-isopropoxypentan-1-ol

Product 1

HCID 230396861-(1H-1,2,4-triazol-1-yl)-2-isopropoxy-2-(2,4-dichlorophenyl)pentane

Sources & evidence

ORD record
ord-cf870426dcef4bdf94925e326132a685
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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