HCID 21978291, 화합물 → HCID 23513587, 화합물

반응식

[CH:43]1([N:49]([CH2:50][CH2:51][NH:52][C:53](=[O:54])[n:55]2[cH:56][cH:57][n:58][cH:59]2)[CH:60]([CH3:61])[CH3:62])[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1.[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>>[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:53]([NH:52][CH2:51][CH2:50][N:49]([CH:43]1[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1)[CH:60]([CH3:61])[CH3:62])=[O:54]

참가 물질

반응물 2

HCID 21978291HCID 21978291, 화합물

HCID 178464989N-(2-aminoethyl)-6-(2,2-diphenylethylamino)-9-[5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purine-2-carboxamide

생성물 1

HCID 23513587HCID 23513587, 화합물

출처 및 근거

ORD 기록: ord-8a88e869f8ff4a12b1b176fdf65bb9e1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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