Hydrochloric Acid → Hydrochloric Acid

HRID 1132987노트

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 8857Ethyl Acetate

HCID 76553209tert-butyl N-[4-[1-acetyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate

생성물 2

HCID 313Hydrochloric Acid

HCID 749471641-[1-acetyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one

출처 및 근거

ORD 기록: ord-532e5d4371da4627b5b68581c53d2dd6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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