Isopropanol → [4-Benzoyloxy-5-[6-[(2-benzyl-3-phenylpropyl)amino]-2-iodopurin-9-yl]-2-(ethylcarbamoyl)oxolan-3-yl] benzoate

HRID 1546074

반응식

HRID 1546074 반응식
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH:10]1[CH:11]([n:29]2[c:30]3[n:31][c:32]([I:39])[n:33][c:34]([Cl:38])[c:35]3[n:36][cH:37]2)[O:12][CH:13]([C:24](=[O:25])[NH:26][CH2:27][CH3:28])[CH:14]1[O:15][C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[O:23].[CH2:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[CH:47]([CH2:48][NH2:49])[CH2:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH:57]([OH:58])([CH3:59])[CH3:60]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH:10]1[CH:11]([n:29]2[c:30]3[n:31][c:32]([I:39])[n:33][c:34]([NH:49][CH2:48][CH:47]([CH2:40][c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[CH2:50][c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[c:35]3[n:36][cH:37]2)[O:12][CH:13]([C:24](=[O:25])[NH:26][CH2:27][CH3:28])[CH:14]1[O:15][C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[O:23]

참가 물질

4

반응물 3

HCID 3776IsopropanolHCID 18767198(3-Amino-2-benzylpropyl)benzeneHCID 229724694-(Benzoyloxy)-2-(6-chloro-2-iodo-9H-purin-9-yl)-5-[(ethylamino)carbonyl]-tetrahydro-3-furanyl benzoate

생성물 1

HCID 18628587[4-Benzoyloxy-5-[6-[(2-benzyl-3-phenylpropyl)amino]-2-iodopurin-9-yl]-2-(ethylcarbamoyl)oxolan-3-yl] benzoate

출처 및 근거

ORD 기록
ord-d596b67f819044b9a7e03478fac0034d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

연결된 노트

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