Isopropanol → HCID 67344959, compound

HRID 2349595Notes

Reaction equation

HRID 2349595 reaction equation
[CH:31]([OH:32])([CH3:33])[CH3:34].[NH2:23][CH:24]1[CH2:25][CH:26]([OH:30])[CH2:27][CH2:28][CH2:29]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]([N+:20](=[O:21])[O-:22])[c:18]3[Cl:19])[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]([N+:20](=[O:21])[O-:22])[c:18]3[NH:23][CH:24]2[CH2:25][CH:26]([OH:30])[CH2:27][CH2:28][CH2:29]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

4

Reactant 3

HCID 3776IsopropanolHCID 112404593-AminocyclohexanolHCID 583947741-(benzenesulfonyl)-4-chloro-5-nitro-1H-pyrrolo(2,3-b)pyridine

Product 1

HCID 67344959HCID 67344959, compound

Sources & evidence

ORD record
ord-00b10b4df558416bb371cff942f7bb96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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