Hydrochloric Acid → HCID 25167123, compound

HRID 176107Notes

Reaction equation

HRID 176107 reaction equation
[CH3:10][c:11]1[n:12][n:13][c:14](-[c:16]2[cH:17][cH:18][c:19]([C:20](=[O:21])[OH:22])[cH:23][cH:24]2)[o:15]1.[CH3:25][CH2:26][N:27]=[C:28]=[N:29][CH2:30][CH2:31][CH2:32][N:33]([CH3:34])[CH3:35].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:68].[NH2:46][CH2:47][C:48](=[O:49])[N:50]1[CH2:51][CH2:52][N:53]([C:56]([c:57]2[c:58]([C:63]([F:64])([F:65])[F:66])[cH:59][cH:60][cH:61][cH:62]2)=[O:67])[CH2:54][CH2:55]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:74].[OH:36][n:37]1[c:38]2[c:39]([cH:40][cH:41][cH:42][cH:43]2)[n:44][n:45]1>>[CH3:10][c:11]1[n:12][n:13][c:14](-[c:16]2[cH:17][cH:18][c:19]([C:20](=[O:22])[NH:46][CH2:47][C:48](=[O:49])[N:50]3[CH2:51][CH2:52][N:53]([C:56]([c:57]4[c:58]([C:63]([F:64])([F:65])[F:66])[cH:59][cH:60][cH:61][cH:62]4)=[O:67])[CH2:54][CH2:55]3)[cH:23][cH:24]2)[o:15]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 177237644-(5-Methyl-1,3,4-oxadiazol-2-yl)benzoic acidHCID 595596292-Amino-1-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethanone

Product 1

HCID 25167123HCID 25167123, compound

Sources & evidence

ORD record
ord-804077829d974f90a90e6c40ad0a2bbb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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