Acetic Acid → HCID 20189993, compound

HRID 2342997Notes

Reaction equation

HRID 2342997 reaction equation
[Br:1][c:2]1[cH:3][c:4]([OH:9])[c:5]([OH:6])[cH:7][cH:8]1.[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[CH3:40][C:41](=[O:42])[OH:43].[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[O:10]=[C:11]1[N:12]([C:20](=[O:21])[NH:22][CH:23]([C:24](=[O:25])[OH:26])[OH:27])[CH2:13][CH2:14][N:15]([CH2:18][CH3:19])[C:16]1=[O:17].[S:44](=[O:45])(=[O:46])([OH:47])[OH:48]>>[Br:1][c:2]1[cH:3][c:4]([OH:9])[c:5]([OH:6])[cH:7][c:8]1[CH:23]([NH:22][C:20]([N:12]1[C:11](=[O:10])[C:16](=[O:17])[N:15]([CH2:18][CH3:19])[CH2:14][CH2:13]1)=[O:21])[C:24](=[O:25])[OH:26]

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ion2×HCID 1118Sulfuric AcidHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 284874-BromocatecholHCID 12882021HCID 12882021, compound

Product 1

HCID 20189993HCID 20189993, compound

Sources & evidence

ORD record
ord-5c5e47b347ce46a0b3500c379d56fb67
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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