1-(5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14,19-pentaoxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphahenicosan-21-oic acid (non-preferred name) → 1,3,6,8-Naphthalenetetrol

HRID 1232950

Reaction equation

HRID 1232950 reaction equation
[CH3:14][C:15]([CH:16]([C:17]([NH:19][CH2:20][CH2:21][C:22]([NH:23][CH2:24][CH2:25][S:26][C:27]([CH2:28][C:29](=[O:30])[OH:31])=[O:32])=[O:33])=[O:34])[OH:35])([CH2:36][O:18][P:37]([O:38][P:39]([O:40][CH2:41][CH:42]1[CH:43]([O:44][P:45](=[O:46])([OH:47])[OH:48])[CH:49]([OH:50])[CH:51]([n:52]2[c:53]3[c:54]([c:55]([NH2:59])[n:56][cH:57][n:58]3)[n:60][cH:61]2)[O:62]1)(=[O:63])[OH:64])(=[O:65])[OH:66])[CH3:67].[OH:1][c:2]1[cH:3][c:4]([OH:13])[cH:5][c:6]2[cH:7][cH:8][cH:9][c:10]([OH:12])[c:11]12>>[OH:1][c:2]1[cH:3][c:4]([OH:13])[cH:5][c:6]2[cH:7][c:8]([OH:18])[cH:9][c:10]([OH:12])[c:11]12

Participants

3

Reactant 2

HCID 8691-(5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14,19-pentaoxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphahenicosan-21-oic acid (non-preferred name)HCID 4394281,3,8-Trihydroxynaphthalene

Product 1

HCID 4402021,3,6,8-Naphthalenetetrol

Sources & evidence

ORD record
ord-13c83945b9814b6fb6f182bbfba454d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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