1-Propanol → Benzenesulfonic Acid

HRID 296124Notes

Reaction equation

HRID 296124 reaction equation
[CH2:33]([OH:34])[CH2:35][CH3:36].[Cl:1][c:2]1[cH:3][c:4]([N:9]2[CH2:10][CH:11]3[CH2:12][N:13]([C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[CH:14]3[CH2:15]2)[cH:5][n:6][c:7]1[Cl:8].[c:23]1([S:29](=[O:30])(=[O:31])[OH:32])[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[Cl:1][c:2]1[cH:3][c:4]([N:9]2[CH2:10][CH:11]3[CH2:12][NH:13][CH:14]3[CH2:15]2)[cH:5][n:6][c:7]1[Cl:8].[c:23]1([S:29](=[O:30])(=[O:31])[OH:32])[cH:24][cH:25][cH:26][cH:27][cH:28]1

Participants

5

Reactant 3

HCID 10311-PropanolHCID 7371Benzenesulfonic AcidHCID 178451516HCID 178451516, compound

Product 2

HCID 7371Benzenesulfonic AcidHCID 226468863-(5,6-Dichloro-pyridin-3-yl)-3,6-diazabicyclo[3.2.0]-heptane

Sources & evidence

ORD record
ord-6b227031a7e049ce9b1660ebeb03014e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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