Ethanol → 2,5-Dihydroxybenzoic acid

HRID 1124384Notes

Reaction equation

HRID 1124384 reaction equation
[CH3:39][CH2:40][OH:41].[OH:28][C:29](=[O:30])[c:31]1[cH:32][c:33]([OH:34])[cH:35][cH:36][c:37]1[OH:38].[cH:1]1[n:2][cH:3][cH:4][c:5]2[c:6]([NH:11][CH:12]3[CH2:13][N:14]([CH2:17][c:18]4[cH:19][c:20]([O:21][CH2:22][CH2:23][OH:24])[cH:25][cH:26][cH:27]4)[CH2:15][CH2:16]3)[cH:7][cH:8][cH:9][c:10]12>>[O:28]=[C:29]([OH:30])[c:31]1[cH:32][c:33]([OH:34])[cH:35][cH:36][c:37]1[OH:38].[cH:1]1[n:2][cH:3][cH:4][c:5]2[c:6]([NH:11][CH:12]3[CH2:13][N:14]([CH2:17][c:18]4[cH:19][c:20]([O:21][CH2:22][CH2:23][OH:24])[cH:25][cH:26][cH:27]4)[CH2:15][CH2:16]3)[cH:7][cH:8][cH:9][c:10]12

Participants

5

Reactant 3

HCID 702EthanolHCID 34692,5-Dihydroxybenzoic acidHCID 250083272-(3-((3-(Isoquinolin-5-ylamino)pyrrolidin-1-yl)methyl)phenoxy)ethanol

Product 2

HCID 34692,5-Dihydroxybenzoic acidHCID 250083272-(3-((3-(Isoquinolin-5-ylamino)pyrrolidin-1-yl)methyl)phenoxy)ethanol

Sources & evidence

ORD record
ord-842d1845ccd248418a8c00977304b4ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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