Benzene → HCID 86589872, compound

HRID 1553808Notes

Reaction equation

HRID 1553808 reaction equation
[Br:1][c:2]1[cH:3][c:4]([N+:9](=[O:10])[O-:11])[c:5]([CH3:8])[cH:6][cH:7]1.[Br:22][N:23]1[C:24](=[O:25])[CH2:26][CH2:27][C:28]1=[O:29].[CH2:31]([CH3:32])[O:33][C:34]([CH2:35][NH2:36])=[O:37].[CH3:49][CH2:50][OH:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[ClH:30].[Na+:38].[OH:39][C:40](=[O:41])[O-:42].[cH:12]1[c:13]([C:14]([O:15][OH:16])=[O:17])[cH:18][cH:19][cH:20][cH:21]1.[cH:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[Br:1][c:2]1[cH:3][c:4]([N+:9](=[O:10])[O-:11])[c:5]([CH2:8][NH:36][CH2:35][C:34]([O:33][CH2:31][CH3:32])=[O:37])[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 241BenzeneHCID 313Hydrochloric AcidHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 12176Glycine ethyl esterHCID 67184N-bromobutanimideHCID 1235464-Bromo-2-nitrotolueneHCID 523077Perbenzoic acid

Product 1

HCID 86589872HCID 86589872, compound

Sources & evidence

ORD record
ord-e716391838ab4f4c9e56b1f35e755aa2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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