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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Ethanol → (3RS)-2-[(Methylthio)thiocarbonyl]-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid

HRID 126179
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반응식

HRID 126179 반응식
[CH2:1]1[NH:2][CH:3]([C:14](=[O:15])[OH:16])[CH2:4][c:5]2[c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[nH:12][c:13]21.[CH3:22][I:23].[CH3:28][CH2:29][OH:30].[CH:24]([Cl:25])([Cl:26])[Cl:27].[K+:18].[OH-:17].[S:19]=[C:20]=[S:21]>>[CH2:1]1[N:2]([C:20]([S:19][CH3:22])=[S:21])[CH:3]([C:14](=[O:15])[OH:16])[CH2:4][c:5]2[c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[nH:12][c:13]21
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반응물 7

HCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 6212ChloroformHCID 6328Methyl iodideHCID 6348Carbon DisulfideHCID 982851,2,3,4-Tetrahydro-Beta-Carboline-3-Carboxylic Acid

생성물 1

HCID 13561913(3RS)-2-[(Methylthio)thiocarbonyl]-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid

출처 및 근거

ORD 기록
ord-8cb567e6f15c47eebc4a7e4dda41213a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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