Isopropanol → HCID 178514943, compound

HRID 1221521Notes

Reaction equation

HRID 1221521 reaction equation
[C:21]([OH:22])([CH3:23])([CH3:24])[CH3:25].[CH2:30]([Cl:31])[Cl:32].[CH:26]([OH:27])([CH3:28])[CH3:29].[c:1]1([C:7]2=[N:11][CH:10]3[CH:9]([O:8]2)[CH:19]([OH:20])[c:18]2[c:13]([cH:14][cH:15][cH:16][cH:17]2)[CH2:12]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]2=[N:11][CH:10]3[CH:9]([O:8]2)[C:19](=[O:20])[c:18]2[c:13]([cH:14][cH:15][cH:16][cH:17]2)[CH2:12]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 6344DichloromethaneHCID 6386tert-ButanolHCID 178514944HCID 178514944, compound

Product 1

HCID 178514943HCID 178514943, compound

Sources & evidence

ORD record
ord-adf751a0f760419b9bb5fd61b22059ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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