Tetrahydrofuran → 2-bromo-4-pentyl-1,4-dihydro-9H-[1,2,4]triazolo[1,5-a]purin-9-one

반응식

[Br:19][N:20]1[C:21](=[O:22])[CH2:23][CH2:24][C:25]1=[O:26].[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[n:6]1[c:7]2[n:8]([c:9](=[O:15])[c:10]3[nH:11][cH:12][n:13][c:14]13)[n:16][cH:17][n:18]2.[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[n:6]1[c:7]2[n:8]([c:9](=[O:15])[c:10]3[nH:11][c:12]([Br:19])[n:13][c:14]13)[n:16][cH:17][n:18]2

참가 물질

반응물 3

HCID 8028Tetrahydrofuran

HCID 67184N-bromobutanimide

HCID 576002184-pentyl-1,4-dihydro-9H-[1,2,4]triazolo[1,5-a]purin-9-one

생성물 1

HCID 576002152-bromo-4-pentyl-1,4-dihydro-9H-[1,2,4]triazolo[1,5-a]purin-9-one

출처 및 근거

ORD 기록: ord-c5bc4800e3184868af11abc9b55ff0cb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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