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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → ethyl 4-[4-[benzyl-[2-hydroxy-3-(3-methylsulfonyl-4-phenylmethoxyphenoxy)propyl]amino]cyclohexyl]benzoate

HRID 1544782
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HRID 1544782 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][CH:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:24][cH:25]2)[CH2:13][CH2:14]1.[CH2:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[O:33][c:34]1[c:35]([S:45](=[O:46])(=[O:47])[CH3:48])[cH:36][c:37]([O:40][CH2:41][CH:42]2[CH2:43][O:44]2)[cH:38][cH:39]1.[CH3:50][CH2:51][OH:52].[ClH:49]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:24][cH:25]2)[CH2:13][CH2:14]1)[CH2:43][CH:42]([CH2:41][O:40][c:37]1[cH:36][c:35]([S:45](=[O:46])(=[O:47])[CH3:48])[c:34]([O:33][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:39][cH:38]1)[OH:44]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 313Hydrochloric AcidHCID 702EthanolHCID 225577342-[(3-Methylsulfonyl-4-phenylmethoxyphenoxy)methyl]oxiraneHCID 46181626Ethyl 4-[4-(benzylamino)cyclohexyl]benzoate

생성물 1

HCID 178468739ethyl 4-[4-[benzyl-[2-hydroxy-3-(3-methylsulfonyl-4-phenylmethoxyphenoxy)propyl]amino]cyclohexyl]benzoate

출처 및 근거

ORD 기록
ord-07d283b5529848678de74704f25823bb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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