Hydrochloric Acid → HCID 22261436, compound

HRID 313285Notes

Reaction equation

HRID 313285 reaction equation
[C:44](=[O:45])([O-:46])[OH:47].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[Cl:15][C:16]([C:17]([Cl:18])=[O:19])=[O:20].[ClH:21].[F:22][c:23]1[cH:24][cH:25][c:26]([CH:29]([CH:30]([CH2:31][c:32]2[cH:33][cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:37]2)[NH2:42])[OH:43])[cH:27][cH:28]1.[Na+:48].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH2:60].[c:1]1([CH2:11][C:12](=[O:13])[OH:14])[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[c:1]1([CH2:11][C:12](=[O:14])[NH:42][CH:30]([CH:29]([c:26]2[cH:25][cH:24][c:23]([F:22])[cH:28][cH:27]2)[OH:43])[CH2:31][c:32]2[cH:33][cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:37]2)[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 68621-Naphthaleneacetic AcidHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 65578Oxalyl chlorideHCID 22261479(1RS,2RS)-1-(4-fluorophenyl)-1-hydroxy-3-(4-(trifluoromethyl)phenyl)-2-propylamine

Product 1

HCID 22261436HCID 22261436, compound

Sources & evidence

ORD record
ord-1b46aafa03e8421ebd90d55ddb212720
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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