6-Amino-2-iodo-9-(beta-D-ribofuranosyl)purine → (3,4-difluorophenyl) 4-[3-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]prop-2-ynyl]piperidine-1-carboxylate

HRID 185383

반응식

HRID 185383 반응식
[CH2:1]([C:2]#[CH:3])[CH:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[O:12][c:13]2[cH:14][c:15]([F:20])[c:16]([F:19])[cH:17][cH:18]2)[CH2:8][CH2:9]1.[I:21][c:22]1[n:23][c:24]([NH2:40])[c:25]2[n:26][cH:27][n:28]([CH:29]3[CH:30]([OH:31])[CH:32]([OH:33])[CH:34]([CH2:35][OH:36])[O:37]3)[c:38]2[n:39]1>>[CH2:1]([C:2]#[C:3][c:22]1[n:23][c:24]([NH2:40])[c:25]2[n:26][cH:27][n:28]([CH:29]3[CH:30]([OH:31])[CH:32]([OH:33])[CH:34]([CH2:35][OH:36])[O:37]3)[c:38]2[n:39]1)[CH:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[O:12][c:13]2[cH:14][c:15]([F:20])[c:16]([F:19])[cH:17][cH:18]2)[CH2:8][CH2:9]1

참가 물질

3

반응물 2

HCID 5840406-Amino-2-iodo-9-(beta-D-ribofuranosyl)purineHCID 578388903,4-Difluorophenyl 4-(prop-2-ynyl)piperidine-1-carboxylate

생성물 1

HCID 178508394(3,4-difluorophenyl) 4-[3-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]prop-2-ynyl]piperidine-1-carboxylate

출처 및 근거

ORD 기록
ord-e65bdf7a020a4333962a5addbbe497c1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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