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Hydrochloric Acid → tert-butyl N-[4-[1-(dimethylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate

HRID 194204
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HRID 194204 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][C:11](=[O:12])[N:13]1[CH2:14][c:15]2[n:16]([c:19]([C:25]([F:26])([F:27])[F:28])[n:20][c:21]2[C:22](=[O:23])[OH:24])[CH2:17][CH2:18]1)[CH2:29][c:30]1[c:31]([F:38])[cH:32][c:33]([F:37])[c:34]([F:36])[cH:35]1.[CH3:40][NH:41][CH3:42].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[Cl:50][CH2:51][Cl:52].[ClH:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][C:11](=[O:12])[N:13]1[CH2:14][c:15]2[n:16]([c:19]([C:25]([F:26])([F:27])[F:28])[n:20][c:21]2[C:22](=[O:23])[N:41]([CH3:40])[CH3:42])[CH2:17][CH2:18]1)[CH2:29][c:30]1[c:31]([F:38])[cH:32][c:33]([F:37])[c:34]([F:36])[cH:35]1
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참가 물질

6

반응물 5

HCID 313Hydrochloric AcidHCID 674DimethylamineHCID 6344DichloromethaneHCID 8471TriethylamineHCID 575184047-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid

생성물 1

HCID 76553194
tert-butyl N-[4-[1-(dimethylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate

출처 및 근거

ORD 기록
ord-be0fd2836769420e80148f370bf72d1b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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