Hydrochloric Acid → HCID 22262307, compound

HRID 2147991

Reaction equation

HRID 2147991 reaction equation
[C:47](=[O:48])([O-:49])[OH:50].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[Cl:18][C:19]([C:20]([Cl:21])=[O:22])=[O:23].[ClH:24].[F:25][c:26]1[cH:27][cH:28][c:29]([CH:32]([CH:33]([CH2:34][c:35]2[cH:36][cH:37][c:38]([C:41]([F:42])([F:43])[F:44])[cH:39][cH:40]2)[NH2:45])[OH:46])[cH:30][cH:31]1.[Na+:51].[O:1]=[C:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2-[c:9]2[c:10]([C:15](=[O:16])[OH:17])[cH:11][cH:12][cH:13][c:14]21.[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH2:63]>>[O:1]=[C:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2-[c:9]2[c:10]([C:15](=[O:16])[NH:45][CH:33]([CH:32]([c:29]3[cH:28][cH:27][c:26]([F:25])[cH:31][cH:30]3)[OH:46])[CH2:34][c:35]3[cH:36][cH:37][c:38]([C:41]([F:42])([F:43])[F:44])[cH:39][cH:40]3)[cH:11][cH:12][cH:13][c:14]21

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 65578Oxalyl chlorideHCID 803619-Oxofluorene-4-carboxylic acidHCID 22261479(1RS,2RS)-1-(4-fluorophenyl)-1-hydroxy-3-(4-(trifluoromethyl)phenyl)-2-propylamine

Product 1

HCID 22262307HCID 22262307, compound

Sources & evidence

ORD record
ord-d4ab75f152134c19afbc3d386160c2dc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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