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Sodium Ion → 4-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)-3,3-dimethylpiperazin-2-one

HRID 143195
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HRID 143195 반응식
[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[c:11]3[n:12][c:13]([CH:18]=[O:19])[n:14]([CH3:17])[c:15]3[n:16]1)[cH:26][cH:27][cH:28][cH:29]2.[CH3:30][C:31]1([CH3:38])[C:32](=[O:37])[NH:33][CH2:34][CH2:35][NH:36]1.[Na+:52]>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[c:11]3[n:12][c:13]([CH2:18][N:36]4[C:31]([CH3:30])([CH3:38])[C:32](=[O:37])[NH:33][CH2:34][CH2:35]4)[n:14]([CH3:17])[c:15]3[n:16]1)[cH:26][cH:27][cH:28][cH:29]2
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 923Sodium IonHCID 2111572-Piperazinone, 3,3-dimethyl-HCID 2724942TriacetoxyborohydrideHCID 596059872-(2-Ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine-8-carbaldehyde

생성물 1

HCID 596058864-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)-3,3-dimethylpiperazin-2-one

출처 및 근거

ORD 기록
ord-08ea6be64d994f92846d06e87ba94ba6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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