Isopropanol → HCID 178507998, compound

HRID 1149892Notes

Reaction equation

HRID 1149892 reaction equation
[CH:32]([OH:33])([CH3:34])[CH3:35].[H:30][H:31].[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([N+:27]([O-:28])=[O:29])[c:18]3[NH:19][CH:20]2[CH2:21][CH:22]([OH:26])[CH2:23][CH2:24][CH2:25]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([NH2:27])[c:18]3[NH:19][CH:20]2[CH2:21][CH:22]([OH:26])[CH2:23][CH2:24][CH2:25]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

4

Reactant 3

HCID 3776IsopropanolHCID 67344959HCID 67344959, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 178507998HCID 178507998, compound

Sources & evidence

ORD record
ord-26a5ccece18742f0b46c6fff99ae7635
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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