Hydrochloric Acid → HCID 178498828, compound

HRID 1548630Notes

Reaction equation

HRID 1548630 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[Cl:21][c:22]1[n:23][cH:24][c:25]([C:26](=[O:27])[O:28][CH3:29])[c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]1.[ClH:1].[ClH:2].[K+:40].[K+:41].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[OH2:42].[c:3]1([CH:13]([CH3:14])[NH:15][CH:16]2[CH2:17][NH:18][CH2:19][CH2:20]2)[cH:4][cH:5][cH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12>>[c:3]1([CH:13]([CH3:14])[NH:15][CH:16]2[CH2:17][N:18]([c:22]3[n:23][cH:24][c:25]([C:26](=[O:27])[O:28][CH3:29])[c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]3)[CH2:19][CH2:20]2)[cH:4][cH:5][cH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 813Potassium Cation2×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 2775340Methyl 6-chloro-4-(trifluoromethyl)nicotinateHCID 72478204HCID 72478204, compound

Product 1

HCID 178498828HCID 178498828, compound

Sources & evidence

ORD record
ord-267b995a24074f55a1170c74502ca69a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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