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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → N-(3-chloro-2-fluorophenyl)-4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide

HRID 296934
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반응식

HRID 296934 반응식
[CH3:38][N:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[Cl:24][c:25]1[c:26]([F:34])[c:27]([N:31]=[C:32]=[O:33])[cH:28][cH:29][cH:30]1.[ClH:1].[ClH:2].[N-:35]=[C:36]=[O:37].[OH:3][CH:4]1[C:5]2([CH2:6][CH2:7]2)[CH2:8][CH2:9][N:10]([CH2:12][CH2:13][CH2:14][N:15]2[CH2:16][CH:17]([CH3:23])[NH:18][CH2:19][CH2:20][C:21]2=[O:22])[CH2:11]1>>[OH:3][CH:4]1[C:5]2([CH2:6][CH2:7]2)[CH2:8][CH2:9][N:10]([CH2:12][CH2:13][CH2:14][N:15]2[CH2:16][CH:17]([CH3:23])[N:18]([C:32]([NH:31][c:27]3[c:26]([F:34])[c:25]([Cl:24])[cH:30][cH:29][cH:28]3)=[O:33])[CH2:19][CH2:20][C:21]2=[O:22])[CH2:11]1
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참가 물질

6

반응물 5

HCID 313Hydrochloric Acid2회HCID 79724-MethylmorpholineHCID 105034IsocyanateHCID 40926241-Chloro-2-fluoro-3-isocyanatobenzeneHCID 670807024-[3-(8-Hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-1,4-diazepan-5-one

생성물 1

HCID 72529328
N-(3-chloro-2-fluorophenyl)-4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide

출처 및 근거

ORD 기록
ord-e9faf6b71ccf4251b30c1557678871a2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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