Hydrochloric Acid → HCID 178429905, compound

HRID 1146468

Reaction equation

HRID 1146468 reaction equation
[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:27][CH2:28][CH2:29][CH2:30][C:31]([C:32](=[O:33])[OH:34])=[CH:35][c:36]1[cH:37][c:38]([F:48])[c:39](-[n:42]2[cH:43][n:44][c:45]([CH3:47])[cH:46]2)[cH:40][cH:41]1.[ClH:49].[F:20][C:21]([F:22])([F:23])[C:24]([OH:25])=[O:26].[NH2:50][CH:51]([CH:52]([CH3:53])[OH:54])[c:55]1[cH:56][c:57]([F:63])[c:58]([F:62])[c:59]([F:61])[cH:60]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH:10][n:11]1[c:12]2[c:13]([cH:14][cH:15][cH:16][cH:17]2)[n:18][n:19]1>>[Cl:27][CH2:28][CH2:29][CH2:30][C:31]([C:32](=[O:34])[NH:50][CH:51]([CH:52]([CH3:53])[OH:54])[c:55]1[cH:56][c:57]([F:63])[c:58]([F:62])[c:59]([F:61])[cH:60]1)=[CH:35][c:36]1[cH:37][c:38]([F:48])[c:39](-[n:42]2[cH:43][n:44][c:45]([CH3:47])[cH:46]2)[cH:40][cH:41]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 690031855-Chloro-2-[[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methylidene]pentanoic acidHCID 775438221-Amino-1-(3,4,5-trifluorophenyl)propan-2-OL

Product 1

HCID 178429905HCID 178429905, compound

Sources & evidence

ORD record
ord-a5db1aa501e94e1b828051c43bd6407b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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