3-[2-(3-Aminopyrrolidin-1-yl)-6-(2,2-diphenylethylamino)purin-9-yl]-5-(5-ethyltetrazol-2-yl)cyclopentane-1,2-diol → N-[1-[6-(2,2-diphenylethylamino)-9-[4-(5-ethyltetrazol-2-yl)-2,3-dihydroxycyclopentyl]purin-2-yl]pyrrolidin-3-yl]methanesulfonamide

HRID 298658

반응식

HRID 298658 반응식
[NH2:48][CH:49]1[CH2:50][CH2:51][N:52]([c:53]2[n:54][c:55]3[c:56]([n:57][cH:58][n:59]3[CH:60]3[CH2:61][CH:62]([n:63]4[n:64][n:65][c:66]([CH2:67][CH3:68])[n:69]4)[CH:70]([OH:71])[CH:72]3[OH:73])[c:74]([NH:75][CH2:76][CH:77]([c:78]3[cH:79][cH:80][cH:81][cH:82][cH:83]3)[c:84]3[cH:85][cH:86][cH:87][cH:88][cH:89]3)[n:90]2)[CH2:91]1.[OH:1][CH:2]1[CH:3]([n:14]2[c:15]3[n:16][c:17]([N:38]4[CH2:39][CH:40]([NH:43][S:44](=[O:45])(=[O:46])[CH3:47])[CH2:41][CH2:42]4)[n:18][c:19]([NH:23][CH2:24][CH:25]([c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[c:20]3[n:21][cH:22]2)[CH2:4][CH:5]([n:8]2[n:9][c:10]([CH3:13])[n:11][n:12]2)[CH:6]1[OH:7]>>[OH:1][CH:2]1[CH:3]([n:14]2[c:15]3[n:16][c:17]([N:38]4[CH2:39][CH:40]([NH:43][S:44](=[O:45])(=[O:46])[CH3:47])[CH2:41][CH2:42]4)[n:18][c:19]([NH:23][CH2:24][CH:25]([c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[c:20]3[n:21][cH:22]2)[CH2:4][CH:5]([n:8]2[n:9][c:10]([CH2:13][CH3:49])[n:11][n:12]2)[CH:6]1[OH:7]

참가 물질

3

반응물 2

HCID 693605293-[2-(3-Aminopyrrolidin-1-yl)-6-(2,2-diphenylethylamino)purin-9-yl]-5-(5-ethyltetrazol-2-yl)cyclopentane-1,2-diolHCID 178434696N-[1-[9-[2,3-dihydroxy-4-(5-methyltetrazol-2-yl)cyclopentyl]-6-(2,2-diphenylethylamino)purin-2-yl]pyrrolidin-3-yl]methanesulfonamide

생성물 1

HCID 178438067N-[1-[6-(2,2-diphenylethylamino)-9-[4-(5-ethyltetrazol-2-yl)-2,3-dihydroxycyclopentyl]purin-2-yl]pyrrolidin-3-yl]methanesulfonamide

출처 및 근거

ORD 기록
ord-ad7f856524584c63a2f6ddca5ed90146
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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