Tetrahydrofuran → 3-[4-(2,6-Dioxo-3-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]oct-1-yl]-propionic acid methyl ester

반응식

[CH2:29]1[O:30][CH2:31][CH2:32][CH2:33]1.[CH3:1][O:2][C:3]([CH:4]=[CH:5][C:6]12[CH2:7][CH2:8][C:9]([c:14]3[n:15][c:16]4[n:17]([CH2:25][CH2:26][CH3:27])[c:18](=[O:24])[nH:19][c:20](=[O:23])[c:21]4[nH:22]3)([CH2:10][CH2:11]1)[CH2:12][CH2:13]2)=[O:28]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][C:6]12[CH2:7][CH2:8][C:9]([c:14]3[n:15][c:16]4[n:17]([CH2:25][CH2:26][CH3:27])[c:18](=[O:24])[nH:19][c:20](=[O:23])[c:21]4[nH:22]3)([CH2:10][CH2:11]1)[CH2:12][CH2:13]2)=[O:28]

참가 물질

반응물 2

HCID 8028Tetrahydrofuran

HCID 691483283-[4-(2,6-Dioxo-3-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]oct-1-yl]-acrylic acid methyl ester

생성물 1

HCID 213520793-[4-(2,6-Dioxo-3-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]oct-1-yl]-propionic acid methyl ester

출처 및 근거

ORD 기록: ord-2a10ce4820184f4aa55a378fcc0ab53e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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