Hydrochloric Acid → 7-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-amino]-quinoline-3-carboxylic acid 3-methyl-benzylamide

HRID 114872

Reaction equation

HRID 114872 reaction equation
[CH3:33][c:34]1[cH:35][c:36]([CH2:37][NH2:38])[cH:39][cH:40][cH:41]1.[CH3:43][N:44]([CH3:45])[CH2:46][CH2:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH3:53].[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[Cl:71][CH2:72][Cl:73].[ClH:42].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([C:15](=[O:16])[NH:17][c:18]3[cH:19][cH:20][c:21]4[cH:22][c:23]([C:28](=[O:29])[OH:30])[cH:24][n:25][c:26]4[cH:27]3)[cH:11][cH:12][cH:13][cH:14]2)[cH:7][cH:8]1)([F:31])[F:32].[OH:54][n:55]1[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([C:15](=[O:16])[NH:17][c:18]3[cH:19][cH:20][c:21]4[cH:22][c:23]([C:28](=[O:29])[NH:38][CH2:37][c:36]5[cH:35][c:34]([CH3:33])[cH:41][cH:40][cH:39]5)[cH:24][n:25][c:26]4[cH:27]3)[cH:11][cH:12][cH:13][cH:14]2)[cH:7][cH:8]1)([F:31])[F:32]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 660153-MethylbenzylamineHCID 757711-HydroxybenzotriazoleHCID 102967197-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-amino)-quinoline-3-carboxylic acid

Product 1

HCID 102804127-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-amino]-quinoline-3-carboxylic acid 3-methyl-benzylamide

Sources & evidence

ORD record
ord-1c68b822dc574506aa2afa8c640e2219
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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