2-(Butyloxy)-8-(methyloxy)-9-[3-(2-piperidinyl)propyl]-9H-purin-6-amine → 2-(Butyloxy)-8-(methyloxy)-9-[5-(3-piperidinyl)pentyl]-9H-purin-6-amine
반응식
[CH2:1]([O:2][c:3]1[n:4][c:5]2[c:6]([n:7][c:8]([O:9][CH3:10])[n:11]2[CH2:12][CH2:13][CH2:14][CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][NH:20]2)[c:21]([NH2:22])[n:23]1)[CH2:24][CH2:25][CH3:26].[NH2:27][c:28]1[c:29]2[n:30][c:31]([O:63][CH3:64])[n:32]([CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH:47]3[CH2:48][N:49]([C:53]([O:54][CH2:55][c:56]4[cH:57][cH:58][cH:59][cH:60][cH:61]4)=[O:62])[CH2:50][CH2:51][CH2:52]3)[c:33]2[n:34][c:35]([O:37][CH2:38][CH2:39][CH2:40][CH3:41])[n:36]1>>[NH2:27][c:28]1[c:29]2[n:30][c:31]([O:63][CH3:64])[n:32]([CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH:47]3[CH2:48][NH:49][CH2:50][CH2:51][CH2:52]3)[c:33]2[n:34][c:35]([O:37][CH2:38][CH2:39][CH2:40][CH3:41])[n:36]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-475226a29abc41cb8bdea2a73f9f8d22
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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