Hydrochloric Acid → 3-Fluoro-N-phenethyl-4-(trifluoromethyl)benzamide

HRID 2341079Notes

Reaction equation

HRID 2341079 reaction equation
[C:53](=[O:54])([OH:55])[O-:56].[CH2:32]([N:33]=[C:34]=[N:35][CH2:36][CH2:37][CH2:38][N:39]([CH3:40])[CH3:41])[CH3:42].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[Cl:58][CH2:59][Cl:60].[ClH:31].[F:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[C:11]([F:12])([F:13])[F:14].[NH2:15][CH2:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[Na+:57].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH:43][n:44]1[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[F:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:15][CH2:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:8][cH:9][c:10]1[C:11]([F:12])([F:13])[F:14]

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 1001PhenethylamineHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 6882933-Fluoro-4-(trifluoromethyl)benzoic acid

Product 1

HCID 595362643-Fluoro-N-phenethyl-4-(trifluoromethyl)benzamide

Sources & evidence

ORD record
ord-d335058ad4cc436c8d094e4b2662f37d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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