Water → Cyclopropylamide

HRID 1571540Notes

Reaction equation

HRID 1571540 reaction equation
[C:6]([CH3:7])([CH3:8])([CH3:9])[NH:10][S:11](=[O:12])(=[O:13])[c:14]1[cH:15][c:16]([S:20](=[O:21])(=[O:22])[Cl:23])[cH:17][cH:18][cH:19]1.[CH3:24][CH2:25][O:26][C:27](=[O:28])[CH3:29].[CH:1]1([NH2:4])[CH2:2][CH2:3]1.[OH2:5]>>[CH:1]1([NH-:4])[CH2:2][CH2:3]1.[O:5]=[S:20]([c:16]1[cH:15][c:14]([S:11]([NH:10][C:6]([CH3:7])([CH3:8])[CH3:9])(=[O:12])=[O:13])[cH:19][cH:18][cH:17]1)(=[O:21])[OH:22]

Participants

6

Reactant 4

HCID 962WaterHCID 8857Ethyl AcetateHCID 69828CyclopropylamineHCID 167932863-Tert-butylsulfamoyl-benzenesulfonyl chloride

Product 2

HCID 21450380CyclopropylamideHCID 862040723-[[(1,1-Dimethylethyl)amino]sulfonyl]benzenesulfonic acid

Sources & evidence

ORD record
ord-13c082fec70c4c0f9cacbb827affbd46
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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