Acetic Acid → HCID 54074289, compound

HRID 1124527Notes

Reaction equation

HRID 1124527 reaction equation
[Br-:13].[CH3:14][O:15][c:16]1[cH:17][c:18]([CH2:19][PH:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][c:40]([O:44][CH3:45])[c:41]1[O:42][CH3:43].[CH3:56][C:57](=[O:58])[OH:59].[Cl-:49].[H-:46].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH:7]=[O:8])[cH:9][cH:10][c:11]1[Cl:12].[Na+:47].[Na+:48].[cH:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH:7]=[CH:19][c:18]2[cH:17][c:16]([O:15][CH3:14])[c:41]([O:42][CH3:43])[c:40]([O:44][CH3:45])[cH:39]2)[cH:9][cH:10][c:11]1[Cl:12]

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 241BenzeneHCID 259Bromide ionHCID 312ChlorideHCID 923Sodium ion2×HCID 855054-Chloro-3-nitrobenzaldehydeHCID 166653HydrideHCID 178492780HCID 178492780, compound

Product 1

HCID 54074289HCID 54074289, compound

Sources & evidence

ORD record
ord-32985d2529f04b59b1589cbad5cacb0f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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