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Tetrahydrofuran → {2-[3-(3-Methyl-butyl)-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazole-5-sulfonylamino}-acetic acid ethyl ester

HRID 1544307
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HRID 1544307 반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][NH:6][S:7](=[O:8])(=[O:9])[c:10]1[cH:11][n:12][c:13]([NH2:15])[s:14]1)=[O:16].[CH2:67]1[O:68][CH2:69][CH2:70][CH2:71]1.[CH3:17][CH:18]([CH2:19][CH2:20][NH:21][CH:22]1[CH2:23][CH2:24][CH:25]([CH3:28])[CH2:26][CH2:27]1)[CH3:29].[CH3:58][N:59]([c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1)[CH3:66].[CH:30]1([N:31]([CH2:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[C:40](=[O:41])[NH:42][c:43]2[s:44][c:45]([S:48][CH2:49][C:46](=[O:47])[OH:50])[cH:51][n:52]2)[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][NH:6][S:7](=[O:8])(=[O:9])[c:10]1[cH:11][n:12][c:13]([NH:15][C:46]([N:21]([CH2:20][CH2:19][CH:18]([CH3:17])[CH3:29])[CH:22]2[CH2:23][CH2:24][CH:25]([CH3:28])[CH2:26][CH2:27]2)=[O:47])[s:14]1)=[O:16]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 8028TetrahydrofuranHCID 142844-(Dimethylamino)pyridineHCID 11993791[2-(3-Cyclohexyl-3-phenethylureido)-thiazol-5-ylsulfanyl]-acetic acidHCID 213556364-methyl-N-(3-methylbutyl)cyclohexan-1-amineHCID 86253773(2-Amino-thiazole-5-sulfonylamino)acetic acid ethyl ester

생성물 1

HCID 86629871
{2-[3-(3-Methyl-butyl)-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazole-5-sulfonylamino}-acetic acid ethyl ester

출처 및 근거

ORD 기록
ord-9a9e761c37974ca9a63d5479c811fac5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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