Hydrochloric Acid → Hydrochloric Acid

HRID 1562324Notes

Reaction equation

HRID 1562324 reaction equation
[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:33]([F:34])([F:35])[F:36])[n:19][c:20]2[C:21](=[O:22])[N:23]2[CH2:24][CH2:25][N:26]([S:29](=[O:30])(=[O:31])[CH3:32])[CH2:27][CH2:28]2)[CH2:16][CH2:17]1)[CH2:37][c:38]1[c:39]([F:46])[cH:40][c:41]([F:45])[c:42]([F:44])[cH:43]1)([CH3:5])([CH3:6])[CH3:47].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[ClH:48]>>[ClH:48].[NH2:7][CH:8]([CH2:9][C:10](=[O:11])[N:12]1[CH2:13][c:14]2[n:15]([c:18]([C:33]([F:34])([F:35])[F:36])[n:19][c:20]2[C:21](=[O:22])[N:23]2[CH2:24][CH2:25][N:26]([S:29](=[O:30])(=[O:31])[CH3:32])[CH2:27][CH2:28]2)[CH2:16][CH2:17]1)[CH2:37][c:38]1[c:39]([F:46])[cH:40][c:41]([F:45])[c:42]([F:44])[cH:43]1

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 76553206tert-butyl N-[4-[1-(4-methylsulfonylpiperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate

Product 2

HCID 313Hydrochloric AcidHCID 749471433-amino-1-[1-(4-methylsulfonylpiperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one

Sources & evidence

ORD record
ord-1712ddc4db354e8fb52553971e3cff05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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