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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Water → 2-Acetoxymethoxycarbonyl-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)thiomethyl]-8-oxo-7-[(1,3-dithiol-2-on-4-yl)-acetamido]-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene

HRID 1540500
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HRID 1540500 반응식
[C:2](=[O:3])([OH:4])[C:5]1=[C:12]([CH2:13][S:14][c:15]2[n:16][n:17][n:18][n:19]2[CH3:20])[CH2:11][S:10][CH:9]2[N:6]1[C:7](=[O:31])[CH:8]2[NH:21][C:22]([CH2:23][c:24]1[s:25][c:26](=[O:29])[s:27][cH:28]1)=[O:30].[C:32]([CH3:33])(=[O:34])[O:35][CH2:36][I:37].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[Na:1].[OH2:38]>>[C:2]([O:3][CH2:36][O:35][C:32]([CH3:33])=[O:34])(=[O:4])[C:5]1=[C:12]([CH2:13][S:14][c:15]2[n:16][n:17][n:18][n:19]2[CH3:20])[CH2:11][S:10][CH:9]2[N:6]1[C:7](=[O:31])[CH:8]2[NH:21][C:22]([CH2:23][c:24]1[s:25][c:26](=[O:29])[s:27][cH:28]1)=[O:30]
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참가 물질

6

반응물 5

HCID 962WaterHCID 6228DimethylformamideHCID 5360545SodiumHCID 11820084Iodomethyl acetateHCID 214264602-Carboxy-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)-thiomethyl]-8-oxo-7-[(1,3-dithiol-2-on-4-yl)-acetamido]-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene

생성물 1

HCID 21426478
2-Acetoxymethoxycarbonyl-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)thiomethyl]-8-oxo-7-[(1,3-dithiol-2-on-4-yl)-acetamido]-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene

출처 및 근거

ORD 기록
ord-ff4835ce749148b99695bcc9642d4e4a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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