Hydrochloric Acid → 2-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]acetamide

HRID 1542073Notes

Reaction equation

HRID 1542073 reaction equation
[C:8]([CH3:9])(=[O:10])[N:11]1[CH:12]([CH:28]([CH3:29])[CH3:30])[C:13](=[O:27])[N:14]([CH2:23][C:24](=[O:25])[OH:26])[C:15]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)=[CH:16]1.[CH3:1][N:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[CH3:61][S:62](=[O:63])[CH3:64].[Cl:31][C:32]([O:33][CH2:34][CH:35]([CH3:36])[CH3:37])=[O:38].[ClH:39].[NH2:40][CH:41]([CH:42]([OH:43])[c:44]1[s:45][cH:46][cH:47][n:48]1)[CH2:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[OH2:65]>>[C:8]([CH3:9])(=[O:10])[N:11]1[CH:12]([CH:28]([CH3:29])[CH3:30])[C:13](=[O:27])[N:14]([CH2:23][C:24](=[O:25])[NH:40][CH:41]([CH:42]([OH:43])[c:44]2[s:45][cH:46][cH:47][n:48]2)[CH2:49][c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[C:15]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)=[CH:16]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 962WaterHCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 62365Isobutyl chloroformateHCID 198203572-Amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-olHCID 22284314{(3RS)-4-Acetyl-3-isopropyl-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrazin-1-yl}acetic acid

Product 1

HCID 222845372-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]acetamide

Sources & evidence

ORD record
ord-8dd7dfe7f44243e2b1f0fa32d18be10f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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