Hydrochloric Acid → N-((1RS,2SR)-2-hydroxy-2-(4-phenoxyphenyl)-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)-6,7-dihydro-5H-benzo[a]cycloheptene-1-carboxamide

HRID 1540767Notes

Reaction equation

HRID 1540767 reaction equation
[CH2:44]([N:45]=[C:46]=[N:47][CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[CH3:53])[CH3:54].[CH3:65][C:66]#[N:67].[ClH:43].[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([O:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:9][cH:10]1)[CH2:18][c:19]1[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]1.[OH2:68].[OH:55][n:56]1[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1.[c:29]1([C:40](=[O:41])[OH:42])[cH:30][cH:31][cH:32][c:33]2[c:34]1[CH:35]=[CH:36][CH2:37][CH2:38][CH2:39]2>>[NH:1]([CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([O:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:9][cH:10]1)[CH2:18][c:19]1[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]1)[C:40]([c:29]1[cH:30][cH:31][cH:32][c:33]2[c:34]1[CH:35]=[CH:36][CH2:37][CH2:38][CH2:39]2)=[O:41]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 22261609(1RS,2SR)-2-amino-1-(4-phenoxyphenyl)-3-(4-(trifluoromethyl)phenyl)-1-propanolHCID 222620106,7-dihydro-5H-benzo[a]cycloheptene-1-carboxylic acid

Product 1

HCID 67291224N-((1RS,2SR)-2-hydroxy-2-(4-phenoxyphenyl)-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)-6,7-dihydro-5H-benzo[a]cycloheptene-1-carboxamide

Sources & evidence

ORD record
ord-6174bfdd70034923a11a7498de590545
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…