Benzene → HCID 50851762, compound

HRID 2350703Notes

Reaction equation

HRID 2350703 reaction equation
[Br:1][CH2:2][CH2:3][O:4][CH:5]1[CH2:6][c:7]2[c:8]([cH:16][cH:17][c:18]([CH3:20])[cH:19]2)[S:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2.[C:32](=[O:33])([O-:34])[O-:35].[CH2:21]([CH3:22])[O:23][C:24](=[O:25])[CH:26]1[CH2:27][NH:28][CH2:29][CH2:30][CH2:31]1.[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[K+:36].[K+:37].[OH2:49].[cH:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[CH2:2]([CH2:3][O:4][CH:5]1[CH2:6][c:7]2[c:8]([cH:16][cH:17][c:18]([CH3:20])[cH:19]2)[S:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2)[N:28]1[CH2:27][CH:26]([C:24]([O:23][CH2:21][CH3:22])=[O:25])[CH2:31][CH2:30][CH2:29]1

Participants

8

Reactant 7

HCID 241BenzeneHCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 98969Ethyl nipecotateHCID 18787011HCID 18787011, compound

Product 1

HCID 50851762HCID 50851762, compound

Sources & evidence

ORD record
ord-f4b2ff8d3fb84a289461d88bcee4a9c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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