Water → p-Toluenesulfonic acid

HRID 306502Notes

Reaction equation

HRID 306502 reaction equation
[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[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].[OH2:23].[c:24]1([CH3:34])[cH:25][cH:26][c:27]([S:30](=[O:31])(=[O:32])[OH:33])[cH:28][cH:29]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:24]1([CH3:34])[cH:25][cH:26][c:27]([S:30](=[O:31])(=[O:32])[OH:33])[cH:28][cH:29]1

Participants

6

Reactant 4

HCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 8857Ethyl AcetateHCID 178451516HCID 178451516, compound

Product 2

HCID 6101p-Toluenesulfonic acidHCID 226468863-(5,6-Dichloro-pyridin-3-yl)-3,6-diazabicyclo[3.2.0]-heptane

Sources & evidence

ORD record
ord-0ce3f3dc9cb14238a955ba0a609f3059
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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