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Acetic Acid → 2-[2-[(Cyclohexylamino)methyl]-6-(2,2-diphenylethylamino)purin-9-yl]-5-(methoxymethyl)oxolane-3,4-diol

HRID 209433
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HRID 209433 반응식
[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH3:58][C:59](=[O:60])[OH:61].[CH3:67][CH2:68][O:69][CH2:70][CH3:71].[NH2:1][CH2:2][c:3]1[n:4][c:5]([NH:22][CH2:23][CH:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:6]2[n:7][cH:8][n:9]([CH:12]3[O:13][CH:14]([CH2:19][O:20][CH3:21])[CH:15]([OH:18])[CH:16]3[OH:17])[c:10]2[n:11]1.[Na+:57].[O:37]=[C:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1.[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1>>[NH:1]([CH2:2][c:3]1[n:4][c:5]([NH:22][CH2:23][CH:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:6]2[n:7][cH:8][n:9]([CH:12]3[O:13][CH:14]([CH2:19][O:20][CH3:21])[CH:15]([OH:18])[CH:16]3[OH:17])[c:10]2[n:11]1)[CH:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 923Sodium IonHCID 3283Diethyl EtherHCID 7967CyclohexanoneHCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 183484232-[2-(Aminomethyl)-6-(2,2-diphenylethylamino)purin-9-yl]-5-(methoxymethyl)oxolane-3,4-diol

생성물 1

HCID 183484512-[2-[(Cyclohexylamino)methyl]-6-(2,2-diphenylethylamino)purin-9-yl]-5-(methoxymethyl)oxolane-3,4-diol

출처 및 근거

ORD 기록
ord-82f52786c9444ebe805036068237f0f6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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