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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → 5-(3,3-Dimethyl-but-1-ynyl)-3-{(4-methyl-cyclohexanecarbonyl)-[4-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-cyclohexyl]-amino}-thiophene-2-carboxylic acid

HRID 2137055
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HRID 2137055 반응식
[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([C:33]#[C:34][C:35]([CH3:36])([CH3:37])[CH3:38])[cH:8][c:9]1[N:10]([CH:11]1[CH2:12][CH2:13][CH:14]([S:17][c:18]2[n:19][n:20][cH:21][n:22]2[CH3:23])[CH2:15][CH2:16]1)[C:24](=[O:25])[CH:26]1[CH2:27][CH2:28][CH:29]([CH3:32])[CH2:30][CH2:31]1.[ClH:41].[Li+:40].[OH-:39].[OH2:47]>>[O:2]=[C:3]([OH:4])[c:5]1[s:6][c:7]([C:33]#[C:34][C:35]([CH3:36])([CH3:37])[CH3:38])[cH:8][c:9]1[N:10]([CH:11]1[CH2:12][CH2:13][CH:14]([S:17][c:18]2[n:19][n:20][cH:21][n:22]2[CH3:23])[CH2:15][CH2:16]1)[C:24](=[O:25])[CH:26]1[CH2:27][CH2:28][CH:29]([CH3:32])[CH2:30][CH2:31]1
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참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 581140735-(3,3-Dimethyl-but-1-ynyl)-3-{(4-methyl-cyclohexanecarbonyl)-[4-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-cyclohexyl]-amino}-thiophene-2-carboxylic acid methyl ester

생성물 1

HCID 58113910
5-(3,3-Dimethyl-but-1-ynyl)-3-{(4-methyl-cyclohexanecarbonyl)-[4-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-cyclohexyl]-amino}-thiophene-2-carboxylic acid

출처 및 근거

ORD 기록
ord-e70c0e5f8c6047949724e134948ecea8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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