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

HRID 1229363
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인쇄 미리보기

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HRID 1229363 반응식
[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[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.[NH:30]1[CH2:31][CH:32]([N:34]2[CH2:35][CH2:36][C:37]([F:40])([F:41])[CH2:38][CH2:39]2)[CH2:33]1.[Na+:55]>>[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:30]4[CH2:31][CH:32]([N:34]5[CH2:35][CH2:36][C:37]([F:40])([F:41])[CH2:38][CH2:39]5)[CH2:33]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 2724942TriacetoxyborohydrideHCID 596053151-(Azetidin-3-YL)-4,4-difluoropiperidineHCID 596059872-(2-Ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine-8-carbaldehyde

생성물 1

HCID 596058914-(8-((3-(4,4-difluoropiperidin-1-yl)azetidin-1-yl)methyl)-2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-9H-purin-6-yl)morpholine

출처 및 근거

ORD 기록
ord-77a1da35077f47dda72e083508370eb6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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