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Chloride → 1-[5-(1,2-dihydroxy-2-methylpropyl)pyridin-2-yl]-5-(4-methoxy-1H-pyrazolo[3,4-b]pyridin-1-yl)-6-(tetrahydro-2H-pyran-4-yl)hexane-1,4-dione

HRID 92838
Notes
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Reaction equation

HRID 92838 reaction equation
[CH2:51]([n+:52]1[c:53]([CH3:54])[c:55]([CH2:56][CH2:57][OH:58])[s:59][cH:60]1)[c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[CH3:1][O:2][c:3]1[c:4]2[c:5]([n:6][cH:7][cH:8]1)[n:9]([CH:12]([C:13]([CH:14]=[CH2:15])=[O:16])[CH2:17][CH:18]1[CH2:19][CH2:20][O:21][CH2:22][CH2:23]1)[n:10][cH:11]2.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:68][CH2:69][OH:70].[Cl-:50].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH2:67].[OH:24][CH:25]([C:26]([CH3:27])([CH3:28])[OH:29])[c:30]1[cH:31][cH:32][c:33]([CH:36]=[O:37])[n:34][cH:35]1>>[CH3:1][O:2][c:3]1[c:4]2[c:5]([n:6][cH:7][cH:8]1)[n:9]([CH:12]([C:13]([CH2:14][CH2:15][C:36]([c:33]1[cH:32][cH:31][c:30]([CH:25]([OH:24])[C:26]([CH3:27])([CH3:28])[OH:29])[cH:35][n:34]1)=[O:37])=[O:16])[CH2:17][CH:18]1[CH2:19][CH2:20][O:21][CH2:22][CH2:23]1)[n:10][cH:11]2
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 312ChlorideHCID 702EthanolHCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 4253053-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-iumHCID 593314885-(1,2-Dihydroxy-2-methylpropyl)pyridine-2-carbaldehyde
HCID 673521164-(4-methoxy-1H-pyrazolo[3,4-b]pyridin-1-yl)-5-(tetrahydro-2H-pyran-4-yl)pent-1-en-3-one

Product 1

HCID 673529111-[5-(1,2-dihydroxy-2-methylpropyl)pyridin-2-yl]-5-(4-methoxy-1H-pyrazolo[3,4-b]pyridin-1-yl)-6-(tetrahydro-2H-pyran-4-yl)hexane-1,4-dione

Sources & evidence

ORD record
ord-e61ab1b587ef40ee9b0311346fa85ce3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes