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2-(4-(((Benzhydryloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid → N-{2-[5-(4-Chloro-2-nitrophenyl)-1,3,4-thiadiazole-2-sulfonylamino]-ethyl}-N-{[4-N-(benzhydryloxycarbonyl)-cytosin-1-yl]-acetyl}-glycine Ethyl Ester

HRID 99319
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HRID 99319 반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][NH:6][CH2:7][CH2:8][NH:9][S:10](=[O:11])(=[O:12])[c:13]1[s:14][c:15](-[c:18]2[c:19]([N+:25](=[O:26])[O-:27])[cH:20][c:21]([Cl:24])[cH:22][cH:23]2)[n:16][n:17]1)=[O:28].[CH:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[O:42][C:43](=[O:44])[NH:45][c:46]1[n:47][c:48](=[O:56])[n:49]([CH2:52][C:53](=[O:54])[OH:55])[cH:50][cH:51]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][N:6]([CH2:7][CH2:8][NH:9][S:10](=[O:11])(=[O:12])[c:13]1[s:14][c:15](-[c:18]2[c:19]([N+:25](=[O:26])[O-:27])[cH:20][c:21]([Cl:24])[cH:22][cH:23]2)[n:16][n:17]1)[C:53]([CH2:52][n:49]1[c:48](=[O:56])[n:47][c:46]([NH:45][C:43]([O:42][CH:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O:44])[cH:51][cH:50]1)=[O:54])=[O:28]
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3

반응물 2

HCID 155130422-(4-(((Benzhydryloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acidHCID 21092774N-{2-[5-(4-chloro-2-nitrophenyl)-1,3,4-thiadiazole-2-sulfonylamino]-ethyl}-glycine ethyl ester

생성물 1

HCID 21092784N-{2-[5-(4-Chloro-2-nitrophenyl)-1,3,4-thiadiazole-2-sulfonylamino]-ethyl}-N-{[4-N-(benzhydryloxycarbonyl)-cytosin-1-yl]-acetyl}-glycine Ethyl Ester

출처 및 근거

ORD 기록
ord-c300915ec864404591f12308919c17f8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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