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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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tert-butyl N-methyl-N-[2-[(3-sulfanyl-2-pyridinyl)methylsulfanyl]ethyl]carbamate → Benzhydryl 7-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylsulfanylmethyl]-3-pyridinyl]sulfanyl]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

HRID 107631
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인쇄 미리보기

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HRID 107631 반응식
[NH2:1][c:2]1[s:3][c:4]([Cl:47])[c:5]([C:7]([C:8](=[O:9])[NH:10][CH:11]2[CH:12]3[CH2:13][CH2:14][C:15]([O:36][S:37]([C:38]([F:39])([F:40])[F:41])(=[O:42])=[O:43])=[C:16]([C:20](=[O:21])[O:22][CH:23]([c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[N:17]3[C:18]2=[O:19])=[N:44][O:45][CH3:46])[n:6]1.[SH:48][c:49]1[c:50]([CH2:55][S:56][CH2:57][CH2:58][N:59]([C:60]([O:61][C:62]([CH3:63])([CH3:64])[CH3:65])=[O:66])[CH3:67])[n:51][cH:52][cH:53][cH:54]1>>[NH2:1][c:2]1[s:3][c:4]([Cl:47])[c:5]([C:7]([C:8](=[O:9])[NH:10][CH:11]2[CH:12]3[CH2:13][CH2:14][C:15]([S:48][c:49]4[c:50]([CH2:55][S:56][CH2:57][CH2:58][N:59]([C:60]([O:61][C:62]([CH3:63])([CH3:64])[CH3:65])=[O:66])[CH3:67])[n:51][cH:52][cH:53][cH:54]4)=[C:16]([C:20](=[O:21])[O:22][CH:23]([c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[N:17]3[C:18]2=[O:19])=[N:44][O:45][CH3:46])[n:6]1
참가 물질출처 및 근거반응 노트

참가 물질

3

반응물 2

HCID 68503638tert-butyl N-methyl-N-[2-[(3-sulfanyl-2-pyridinyl)methylsulfanyl]ethyl]carbamateHCID 151630783Benzhydryl 7-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(trifluoromethylsulfonyloxy)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

생성물 1

HCID 87553634Benzhydryl 7-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylsulfanylmethyl]-3-pyridinyl]sulfanyl]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

출처 및 근거

ORD 기록
ord-1675f14c0e9c46a0a69067de5606a989
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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