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Potassium Cation → t-butyl 4-[7-(2-butynyl)-2-(2-carbamoylphenoxy)-1-methyl-6-oxo-6,7-dihydro-1H-purin-8-yl]piperazine-1-carboxylate

HRID 2339624
Notes
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Reaction equation

HRID 2339624 reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[CH2:1]([C:2]#[C:3][CH3:4])[n:5]1[c:6]([N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]2)[n:7][c:8]2[n:9][c:10]([Cl:16])[n:11]([CH3:15])[c:12](=[O:14])[c:13]12.[CH3:47][N:48]1[CH2:49][CH2:50][CH2:51][C:52]1=[O:53].[K+:44].[K+:45].[NH2:30][C:31](=[O:32])[c:33]1[cH:34][cH:35][cH:36][cH:37][c:38]1[OH:39].[OH2:46]>>[CH2:1]([C:2]#[C:3][CH3:4])[n:5]1[c:6]([N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]2)[n:7][c:8]2[n:9][c:10]([O:39][c:38]3[c:33]([C:31]([NH2:30])=[O:32])[cH:34][cH:35][cH:36][cH:37]3)[n:11]([CH3:15])[c:12](=[O:14])[c:13]12
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 5147SalicylamideHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 23070741t-butyl 4-(7-(2-butynyl)-2-chloro-1-methyl-6-oxo-6,7-dihydro-1H-purin-8-yl]piperazine-1-carboxylate

Product 1

HCID 23070993
t-butyl 4-[7-(2-butynyl)-2-(2-carbamoylphenoxy)-1-methyl-6-oxo-6,7-dihydro-1H-purin-8-yl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-0609b8e1bf744c068dd2d842511afc78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes