N-methyl-2-pyrrolidone → [4-Acetamido-3-(oxiran-2-ylmethoxy)phenyl] acetate

HRID 1227644Notes

Reaction equation

HRID 1227644 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[cH:6][c:7]([OH:15])[c:8]([NH:11][C:12]([CH3:13])=[O:14])[cH:9][cH:10]1.[C:33](=[O:34])([O-:35])[O-:36].[CH3:39][N:40]1[CH2:41][CH2:42][CH2:43][C:44]1=[O:45].[Cs+:37].[Cs+:38].[N+:16]([c:17]1[cH:18][c:19]([S:20]([O:21][CH2:29][CH:30]2[O:31][CH2:32]2)(=[O:22])=[O:23])[cH:24][cH:25][cH:26]1)([O-:27])=[O:28]>>[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[cH:6][c:7]([O:15][CH2:29][CH:30]2[O:31][CH2:32]2)[c:8]([NH:11][C:12]([CH3:13])=[O:14])[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 286836(Oxiran-2-yl)methyl 3-nitrobenzene-1-sulfonateHCID 688181524-Acetamido-3-hydroxyphenyl acetate

Product 1

HCID 78116060[4-Acetamido-3-(oxiran-2-ylmethoxy)phenyl] acetate

Sources & evidence

ORD record
ord-fbd5c21b95da46f59224a2bc438aa196
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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