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Potassium Cation → 4-[1-(2,2-Dimethylpropionyloxymethyl)-3-ethoxycarbonylmethyl-2,6-dioxo-7-(2-vinylphenyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester

HRID 99259
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HRID 99259 반응식
[Br:41][CH2:42][C:43](=[O:44])[O:45][CH2:46][CH3:47].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]3[nH:17][c:18](=[O:40])[n:19]([CH2:32][O:33][C:34]([C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[c:20](=[O:31])[c:21]3[n:22]2-[c:23]2[c:24]([CH:29]=[CH2:30])[cH:25][cH:26][cH:27][cH:28]2)[CH2:12][CH2:13]1.[C:48](=[O:49])([O-:50])[O-:51].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[K+:52].[K+:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]3[n:17]([CH2:42][C:43](=[O:44])[O:45][CH2:46][CH3:47])[c:18](=[O:40])[n:19]([CH2:32][O:33][C:34]([C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[c:20](=[O:31])[c:21]3[n:22]2-[c:23]2[c:24]([CH:29]=[CH2:30])[cH:25][cH:26][cH:27][cH:28]2)[CH2:12][CH2:13]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 7748Ethyl bromoacetateHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 235369354-[1-(2,2-Dimethylpropionyloxymethyl)-2,6-dioxo-7-(2-vinylphenyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 235369604-[1-(2,2-Dimethylpropionyloxymethyl)-3-ethoxycarbonylmethyl-2,6-dioxo-7-(2-vinylphenyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-ad91550bae29470da10f03c94e991321
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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