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

HRID 117547Notes

Reaction equation

HRID 117547 reaction equation
[CH2:56]([N:57]=[C:58]=[N:59][CH2:60][CH2:61][CH2:62][N:63]([CH3:64])[CH3:65])[CH3:66].[CH3:67][C:68]#[N:69].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[ClH:55].[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[n:6][c:7](-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[s:8][cH:9]1)[CH2:16][c:17]1[cH:18][c:19]([O:23][C:24]([CH:25]([F:26])[F:27])([F:28])[F:29])[cH:20][cH:21][cH:22]1.[OH2:44].[OH:45][n:46]1[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1.[c:30]1([C:41](=[O:42])[OH:43])[cH:31][cH:32][cH:33][c:34]2[c:35]1[CH:36]=[CH:37][CH2:38][CH2:39][CH2:40]2>>[NH:1]([CH:2]([CH:3]([OH:4])[c:5]1[n:6][c:7](-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[s:8][cH:9]1)[CH2:16][c:17]1[cH:18][c:19]([O:23][C:24]([CH:25]([F:26])[F:27])([F:28])[F:29])[cH:20][cH:21][cH:22]1)[C:41]([c:30]1[cH:31][cH:32][cH:33][c:34]2[c:35]1[CH:36]=[CH:37][CH2:38][CH2:39][CH2:40]2)=[O:42]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 22261593(1RS,2RS)-2-amino-1-(2-phenyl-1,3-thiazol-4-yl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1-propanolHCID 222620106,7-dihydro-5H-benzo[a]cycloheptene-1-carboxylic acid

Product 1

HCID 22261457N-{(1RS,2RS)-2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)-1-[3-(1,1,2,2-tetrafluoroethoxy)benzyl]ethyl}-6,7-dihydro-5H-benzo[a]cycloheptene-1-carboxamide

Sources & evidence

ORD record
ord-0a55916c18ca4aa69d6c82f800d721d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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