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Isopropanol → Isopropyl 2-[3-{[(tert-butoxycarbonyl)amino]methyl}-2-isobutyl-4-(4-methylphenyl)quinolin-6-yl]-1,3-thiazole-4-carboxylate

HRID 120582
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반응식

HRID 120582 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[c:11]([CH2:35][CH:36]([CH3:37])[CH3:38])[n:12][c:13]2[cH:14][cH:15][c:16](-[c:27]3[s:28][cH:29][c:30]([C:32](=[O:33])[OH:34])[n:31]3)[cH:17][c:18]2[c:19]1-[c:20]1[cH:21][cH:22][c:23]([CH3:26])[cH:24][cH:25]1.[CH:39]([CH3:40])([CH3:41])[OH:42].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[c:11]([CH2:35][CH:36]([CH3:37])[CH3:38])[n:12][c:13]2[cH:14][cH:15][c:16](-[c:27]3[s:28][cH:29][c:30]([C:32](=[O:33])[O:34][CH:39]([CH3:40])[CH3:41])[n:31]3)[cH:17][c:18]2[c:19]1-[c:20]1[cH:21][cH:22][c:23]([CH3:26])[cH:24][cH:25]1
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참가 물질

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반응물 3

HCID 3776IsopropanolHCID 8028TetrahydrofuranHCID 688291742-[3-{[(Tert-butoxycarbonyl)amino]methyl}-2-isobutyl-4-(4-methylphenyl)-6-quinolinyl]-1,3-thiazole-4-carboxylic acid

생성물 1

HCID 68832561Isopropyl 2-[3-{[(tert-butoxycarbonyl)amino]methyl}-2-isobutyl-4-(4-methylphenyl)quinolin-6-yl]-1,3-thiazole-4-carboxylate

출처 및 근거

ORD 기록
ord-3db6c5f376444839b97aec34ba6ed057
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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