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Hydroxide → 1-[7-(2-Chloro-6-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperidine-3-carboxylic acid

HRID 143543
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인쇄 미리보기

반응식

HRID 143543 반응식
[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[Cl:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([N:18]3[CH2:19][CH:20]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[CH2:21][CH2:22][CH2:23]3)[n:7][c:8]3[n:9]([CH3:17])[c:10](=[O:16])[n:11]([CH3:15])[c:12](=[O:14])[c:13]23)[c:29]([F:33])[cH:30][cH:31][cH:32]1.[Li+:35].[OH-:34].[OH2:41]>>[Cl:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([N:18]3[CH2:19][CH:20]([C:24](=[O:25])[OH:26])[CH2:21][CH2:22][CH2:23]3)[n:7][c:8]3[n:9]([CH3:17])[c:10](=[O:16])[n:11]([CH3:15])[c:12](=[O:14])[c:13]23)[c:29]([F:33])[cH:30][cH:31][cH:32]1
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반응물 5

HCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 57565596Ethyl 1-[7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperidine-3-carboxylate

생성물 1

HCID 10003874
1-[7-(2-Chloro-6-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperidine-3-carboxylic acid

출처 및 근거

ORD 기록
ord-75298f57ceff4023a2eae634b0a82523
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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