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Potassium Cation → 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carboxylic acid

HRID 1205903
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반응식

HRID 1205903 반응식
[CH3:1][O:2][C:3](=[O:4])[C:5]12[CH2:6][CH2:7][C:8]([c:13]3[n:14][c:15]4[n:16]([CH2:27][CH2:28][CH3:29])[c:17](=[O:26])[n:18]([CH2:23][CH2:24][CH3:25])[c:19](=[O:22])[c:20]4[nH:21]3)([CH2:9][CH2:10]1)[CH2:11][CH2:12]2.[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[K+:39].[OH-:38].[OH2:30]>>[O:2]=[C:3]([OH:4])[C:5]12[CH2:6][CH2:7][C:8]([c:13]3[n:14][c:15]4[n:16]([CH2:27][CH2:28][CH3:29])[c:17](=[O:26])[n:18]([CH2:23][CH2:24][CH3:25])[c:19](=[O:22])[c:20]4[nH:21]3)([CH2:9][CH2:10]1)[CH2:11][CH2:12]2
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반응물 5

HCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 98440604-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carboxylic acid methyl ester

생성물 1

HCID 98865894-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carboxylic acid
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출처 및 근거

ORD 기록
ord-5d10af9059154666a50fe48095edc95d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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