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Methanol → 4-(1-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)azetidin-3-yl)piperazin-2-one

HRID 86015
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인쇄 미리보기

반응식

HRID 86015 반응식
[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[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.[CH3:55][OH:56].[NH:30]1[CH2:31][CH:32]([N:34]2[CH2:35][C:36](=[O:40])[NH:37][CH2:38][CH2:39]2)[CH2:33]1.[Na+: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]([CH2:18][N:30]4[CH2:31][CH:32]([N:34]5[CH2:35][C:36](=[O:40])[NH:37][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

6

반응물 5

HCID 887MethanolHCID 923Sodium IonHCID 2724942TriacetoxyborohydrideHCID 596059872-(2-Ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine-8-carbaldehydeHCID 596061454-(Azetidin-3-yl)piperazin-2-one

생성물 1

HCID 59605511
4-(1-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)azetidin-3-yl)piperazin-2-one

출처 및 근거

ORD 기록
ord-218e8c86cd9f4e9697cfa050f0f5b81a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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