Water → HCID 25254844, compound

HRID 2122895Notes

Reaction equation

HRID 2122895 reaction equation
[Br:22][CH2:23][CH2:24][O:25][c:26]1[c:27]([C:48]([CH3:49])=[O:50])[c:28]([CH3:47])[c:29]([Cl:46])[c:30]([O:44][CH3:45])[c:31]1[O:32][CH2:33][CH2:34][CH:35]([CH3:36])[c:37]1[cH:38][cH:39][c:40]([F:43])[cH:41][cH:42]1.[C:1]([O:2][C:3]([CH3:4])([CH3:5])[CH3:6])(=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([OH:14])[CH2:12][CH2:13]1.[C:51](=[O:52])([O-:53])[O-:54].[Cl:57][CH2:58][Cl:59].[Cs+:55].[Cs+:56].[F:15][C:16]([F:17])([F:18])[C:19]([OH:20])=[O:21].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:65]>>[CH2:1]([N:8]1[CH2:9][CH2:10][CH:11]([OH:14])[CH2:12][CH2:13]1)[CH2:24][O:25][c:26]1[c:27]([C:48]([CH3:49])=[O:50])[c:28]([CH3:47])[c:29]([Cl:46])[c:30]([O:44][CH3:45])[c:31]1[O:32][CH2:33][CH2:34][CH:35]([CH3:36])[c:37]1[cH:38][cH:39][c:40]([F:43])[cH:41][cH:42]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 643502Tert-butyl 4-hydroxypiperidine-1-carboxylateHCID 595835231-{2-(2-Bromo-ethoxy)-5-chloro-3-[3-(4-fluoro-phenyl)-butoxy]-4-methoxy-6-methyl-phenyl}-ethanone

Product 1

HCID 25254844HCID 25254844, compound

Sources & evidence

ORD record
ord-46db7402114e48bd8f76761e7bc7fc98
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…