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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → N-(5-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 1565450
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인쇄 미리보기

반응식

HRID 1565450 반응식
[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[Cl:31][c:32]1[cH:33][cH:34][c:35]([F:41])[c:36]([N:38]=[C:39]=[O:40])[cH:37]1.[Cl:42][CH2:43][Cl:44].[ClH:1].[ClH:2].[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:39]([NH:38][c:36]3[c:35]([F:41])[cH:34][cH:33][c:32]([Cl:31])[cH:37]3)=[O:40])[CH2:19][CH2:20][C:21]2=[O:22])[CH2:11]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 313Hydrochloric Acid2회HCID 6344DichloromethaneHCID 8471TriethylamineHCID 162280414-Chloro-1-fluoro-2-isocyanatobenzeneHCID 670807024-[3-(8-Hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-1,4-diazepan-5-one

생성물 1

HCID 72529334
N-(5-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-f2e331593d814ac7b1631c84a71dbda3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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