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N-[1-(2-pyridinyl)-4-piperidinyl]-1H-imidazole-1-carboxamide → 6-(2,2-diphenylethylamino)-9-[5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide

HRID 1136623
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HRID 1136623 반응식
[NH2:1][CH2:2][CH2:3][NH:4][C:5](=[O:6])[c:7]1[n:8][c:9]([NH:28][CH2:29][CH:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:10]2[n:11][cH:12][n:13]([CH:16]3[O:17][CH:18]([C:23](=[O:24])[NH:25][CH2:26][CH3:27])[CH:19]([OH:22])[CH:20]3[OH:21])[c:14]2[n:15]1.[n:43]1[c:44]([N:49]2[CH2:50][CH2:51][CH:52]([NH:55][C:56](=[O:57])[n:58]3[cH:59][cH:60][n:61][cH:62]3)[CH2:53][CH2:54]2)[cH:45][cH:46][cH:47][cH:48]1>>[NH:1]([CH2:2][CH2:3][NH:4][C:5](=[O:6])[c:7]1[n:8][c:9]([NH:28][CH2:29][CH:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:10]2[n:11][cH:12][n:13]([CH:16]3[O:17][CH:18]([C:23](=[O:24])[NH:25][CH2:26][CH3:27])[CH:19]([OH:22])[CH:20]3[OH:21])[c:14]2[n:15]1)[C:56]([NH:55][CH:52]1[CH2:51][CH2:50][N:49]([c:44]2[n:43][cH:48][cH:47][cH:46][cH:45]2)[CH2:54][CH2:53]1)=[O:57]
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참가 물질

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반응물 2

HCID 21978278N-[1-(2-pyridinyl)-4-piperidinyl]-1H-imidazole-1-carboxamideHCID 178464989N-(2-aminoethyl)-6-(2,2-diphenylethylamino)-9-[5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purine-2-carboxamide

생성물 1

HCID 219462986-(2,2-diphenylethylamino)-9-[5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide

출처 및 근거

ORD 기록
ord-d7e5f9e315c54f5a8ce3585fe40a9ecb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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