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Isopropanol → [4-Acetyloxy-5-[2-chloro-6-(pentan-3-ylamino)purin-9-yl]-2-(5-ethyl-1,2-oxazol-3-yl)oxolan-3-yl] acetate

HRID 86547
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HRID 86547 반응식
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([n:21]2[c:22]3[n:23][c:24]([Cl:31])[n:25][c:26]([Cl:30])[c:27]3[n:28][cH:29]2)[O:7][CH:8]([c:14]2[n:15][o:16][c:17]([CH2:19][CH3:20])[cH:18]2)[CH:9]1[O:10][C:11]([CH3:12])=[O:13].[CH2:41]([CH3:42])[CH:43]([CH2:44][CH3:45])[NH2:46].[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[CH:47]([OH:48])([CH3:49])[CH3:50]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([n:21]2[c:22]3[n:23][c:24]([Cl:31])[n:25][c:26]([NH:46][CH:43]([CH2:41][CH3:42])[CH2:44][CH3:45])[c:27]3[n:28][cH:29]2)[O:7][CH:8]([c:14]2[n:15][o:16][c:17]([CH2:19][CH3:20])[cH:18]2)[CH:9]1[O:10][C:11]([CH3:12])=[O:13]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 3776IsopropanolHCID 120193-PentanamineHCID 81531DiisopropylethylamineHCID 23448881[4-Acetyloxy-5-(2,6-dichloropurin-9-yl)-2-(5-ethyl-1,2-oxazol-3-yl)oxolan-3-yl] acetate

생성물 1

HCID 88013414[4-Acetyloxy-5-[2-chloro-6-(pentan-3-ylamino)purin-9-yl]-2-(5-ethyl-1,2-oxazol-3-yl)oxolan-3-yl] acetate

출처 및 근거

ORD 기록
ord-b33fd4d45cc542da9369a19348b333a2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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