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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → 7-fluoro-2-methyl-10-oxo-6-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

HRID 180516
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반응식

HRID 180516 반응식
[CH2:32]1[CH2:33][CH2:34][C:35]2=[N:40][CH2:39][CH2:38][CH2:37][N:36]2[CH2:41][CH2:42]1.[CH3:43][C:44]#[N:45].[ClH:21].[F:1][c:2]1[c:3]([F:20])[c:4]2[c:5]3[n:6]([cH:11][c:12]([C:17](=[O:18])[OH:19])[c:13](=[O:16])[c:14]3[cH:15]1)[CH:7]([CH3:10])[CH2:8][O:9]2.[n:22]1([CH:27]2[CH2:28][NH:29][CH2:30][CH2:31]2)[n:23][cH:24][n:25][cH:26]1>>[F:1][c:2]1[c:3]([N:29]2[CH2:28][CH:27]([n:22]3[n:23][cH:24][n:25][cH:26]3)[CH2:31][CH2:30]2)[c:4]2[c:5]3[n:6]([cH:11][c:12]([C:17](=[O:18])[OH:19])[c:13](=[O:16])[c:14]3[cH:15]1)[CH:7]([CH3:10])[CH2:8][O:9]2
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 5342788,9-Difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acidHCID 190059951-(pyrrolidin-3-yl)-1H-1,2,4-triazole

생성물 1

HCID 178431284
7-fluoro-2-methyl-10-oxo-6-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

출처 및 근거

ORD 기록
ord-3358f8a8d56c478998bb19a7731abd68
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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