Hydrochloric Acid → HCID 57855663, compound

HRID 1563137Notes

Reaction equation

HRID 1563137 reaction equation
[CH3:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:44].[F:10][C:11]([c:12]1[cH:13][cH:14][n:15][cH:16][c:17]1[C:18](=[O:19])[OH:20])([F:21])[F:22].[O:45]=[C:46]([CH2:47][NH:48][C:49](=[O:50])[c:51]1[cH:52][cH:53][c:54](-[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:55][cH:56]1)[N:63]1[CH2:64][CH2:65][NH:66][CH2:67][CH2:68]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:74].[OH:23][n:24]1[c:25]2[c:26]([cH:27][cH:28][cH:29][cH:30]2)[n:31][n:32]1>>[F:10][C:11]([c:12]1[cH:13][cH:14][n:15][cH:16][c:17]1[C:18](=[O:20])[N:66]1[CH2:65][CH2:64][N:63]([C:46](=[O:45])[CH2:47][NH:48][C:49](=[O:50])[c:51]2[cH:52][cH:53][c:54](-[c:57]3[cH:58][cH:59][cH:60][cH:61][cH:62]3)[cH:55][cH:56]2)[CH2:68][CH2:67]1)([F:21])[F:22]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 27775493-Pyridinecarboxylic acid, 4-(trifluoromethyl)-HCID 57855677Biphenyl-4-carboxylicacid (2-oxo-2-piperazin-1-yl-ethyl)-amide

Product 1

HCID 57855663HCID 57855663, compound

Sources & evidence

ORD record
ord-6b51e1622c0a454c8df67000b98a8d9f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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