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Hydrochloric Acid → Hydrochloric Acid

HRID 1127174
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HRID 1127174 반응식
[C:1]([O:2][C:3](=[O:4])[NH:7][CH:8]([CH2:9][C:10]([N:11]1[CH2:12][c:13]2[n:14]([c:17]([C:27]([F:28])([F:29])[F:30])[n:18][c:19]2[C:20](=[O:21])[N:22]2[CH2:23][CH2:24][CH2:25][CH2:26]2)[CH2:15][CH2:16]1)=[O:31])[CH2:32][c:33]1[c:34]([F:41])[cH:35][c:36]([F:40])[c:37]([F:39])[cH:38]1)([CH3:5])([CH3:6])[CH3:42].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[ClH:43]>>[ClH:43].[NH2:7][CH:8]([CH2:9][C:10]([N:11]1[CH2:12][c:13]2[n:14]([c:17]([C:27]([F:28])([F:29])[F:30])[n:18][c:19]2[C:20](=[O:21])[N:22]2[CH2:23][CH2:24][CH2:25][CH2:26]2)[CH2:15][CH2:16]1)=[O:31])[CH2:32][c:33]1[c:34]([F:41])[cH:35][c:36]([F:40])[c:37]([F:39])[cH:38]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 76553197tert-butyl N-[4-oxo-4-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate

생성물 2

HCID 313Hydrochloric AcidHCID 749470833-amino-1-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one

출처 및 근거

ORD 기록
ord-ac3067c5c3674d80941beeb7dd53fe53
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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