Isopropanol → HCID 14031969, compound

HRID 1222775Notes

Reaction equation

HRID 1222775 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][cH:8][n:9](-[c:11]2[cH:12][c:13]([Cl:17])[cH:14][cH:15][cH:16]2)[cH:10]1.[CH:18]([OH:19])([CH3:20])[CH3:21].[CH:22]([O-:23])([CH3:24])[CH3:25].[CH:26]([O-:27])([CH3:28])[CH3:29].[CH:30]([O-:31])([CH3:32])[CH3:33].[CH:34]([O-:35])([CH3:36])[CH3:37].[Ti+4:38]>>[CH:1]([CH3:2])([O:3][C:4](=[O:5])[c:6]1[n:7][cH:8][n:9](-[c:11]2[cH:12][c:13]([Cl:17])[cH:14][cH:15][cH:16]2)[cH:10]1)[CH3:18]

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 114942Titanium cation (4+)HCID 3260420Isopropanolate4×HCID 14031968Ethyl 1-(3-chlorophenyl)-1H-imidazole-4-carboxylate

Product 1

HCID 14031969HCID 14031969, compound

Sources & evidence

ORD record
ord-fe5a5c1804054cb89d29ab49cdf6ab90
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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