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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Dichloromethane → 4-({[7-(3,5-Dimethyl-isoxazole-4-sulfonyloxy)-1,2,3,4-tetrahydro-naphthalen-2-yl]-propyl-amino}-methyl)-piperidine-1-carboxylic acid tert-butyl ester

HRID 108076
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반응식

HRID 108076 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][N:15]([CH2:16][CH2:17][CH3:18])[CH:19]2[CH2:20][c:21]3[cH:22][c:23]([OH:29])[cH:24][cH:25][c:26]3[CH2:27][CH2:28]2)[CH2:12][CH2:13]1.[CH2:48]([Cl:49])[Cl:50].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:37][c:38]1[n:39][o:40][c:41]([CH3:47])[c:42]1[S:43](=[O:44])(=[O:45])[Cl:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][N:15]([CH2:16][CH2:17][CH3:18])[CH:19]2[CH2:20][c:21]3[cH:22][c:23]([O:29][S:43]([c:42]4[c:38]([CH3:37])[n:39][o:40][c:41]4[CH3:47])(=[O:44])=[O:45])[cH:24][cH:25][c:26]3[CH2:27][CH2:28]2)[CH2:12][CH2:13]1
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반응물 4

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 27363193,5-Dimethylisoxazole-4-sulfonyl chlorideHCID 686243534-{[(7-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amino]-methyl}-piperidine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 865890914-({[7-(3,5-Dimethyl-isoxazole-4-sulfonyloxy)-1,2,3,4-tetrahydro-naphthalen-2-yl]-propyl-amino}-methyl)-piperidine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-d76d8b370983487ea5e073c41fcf2baa
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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