Hydrochloric Acid → N-{(1RS,2SR)-2-hydroxy-2-(4-hydroxyphenyl)-1-[3-(1,1,2,2-tetrafluoroethoxy)benzyl]ethyl}-6,7-dihydro-5H-benzo[a][7]annulene-1-carboxamide

HRID 302185Notes

Reaction equation

HRID 302185 reaction equation
[CH2:41]([N:42]=[C:43]=[N:44][CH2:45][CH2:46][CH2:47][N:48]([CH3:49])[CH3:50])[CH3:51].[CH3:63][C:64]#[N:65].[ClH:40].[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([OH:11])[cH:9][cH:10]1)[CH2:12][c:13]1[cH:14][c:15]([O:19][C:20]([CH:21]([F:22])[F:23])([F:24])[F:25])[cH:16][cH:17][cH:18]1.[OH2:52].[OH2:66].[OH:53][n:54]1[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1.[c:26]1([C:37](=[O:38])[OH:39])[cH:27][cH:28][cH:29][c:30]2[c:31]1[CH:32]=[CH:33][CH2:34][CH2:35][CH2:36]2>>[NH:1]([CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([OH:11])[cH:9][cH:10]1)[CH2:12][c:13]1[cH:14][c:15]([O:19][C:20]([CH:21]([F:22])[F:23])([F:24])[F:25])[cH:16][cH:17][cH:18]1)[C:37]([c:26]1[cH:27][cH:28][cH:29][c:30]2[c:31]1[CH:32]=[CH:33][CH2:34][CH2:35][CH2:36]2)=[O:38]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962Water2×HCID 6342AcetonitrileHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 222620024-{(1RS,2SR)-2-amino-1-hydroxy-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl}phenolHCID 222620106,7-dihydro-5H-benzo[a]cycloheptene-1-carboxylic acid

Product 1

HCID 22262226N-{(1RS,2SR)-2-hydroxy-2-(4-hydroxyphenyl)-1-[3-(1,1,2,2-tetrafluoroethoxy)benzyl]ethyl}-6,7-dihydro-5H-benzo[a][7]annulene-1-carboxamide

Sources & evidence

ORD record
ord-565d11d77afc4212b3812d2d8a049a7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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