Chloride → HCID 86647120, compound

HRID 1113116Notes

Reaction equation

HRID 1113116 reaction equation
[Br:47][CH2:48][c:49]1[c:50]([C:55]([F:56])([F:57])[F:58])[cH:51][cH:52][cH:53][cH:54]1.[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[Cl-:59].[Cl:1][c:2]1[n:3][cH:4][c:5]2[n:6][cH:7][n:8](-[c:9]3[s:10][c:11]([C:12]([O:13][CH3:14])=[O:15])[c:16]([OH:17])[cH:18]3)[c:19]2[cH:20]1.[Cl:21][c:22]1[cH:23][c:24]2[c:25]([cH:26][n:27]1)[n:28](-[c:31]1[cH:32][c:33]([OH:40])[c:34]([C:36](=[O:37])[O:38][CH3:39])[s:35]1)[cH:29][n:30]2.[K+:41].[K+:42].[K+:60].[O-:43][C:44]([O-:45])=[O:46].[OH2:66]>>[Cl:21][c:22]1[cH:23][c:24]2[c:25]([cH:26][n:27]1)[n:28](-[c:31]1[cH:32][c:33]([O:40][CH2:48][c:49]3[c:50]([C:55]([F:56])([F:57])[F:58])[cH:51][cH:52][cH:53][cH:54]3)[c:34]([C:36](=[O:37])[O:38][CH3:39])[s:35]1)[cH:29][n:30]2

Participants

9

Reactant 8

HCID 312ChlorideHCID 813Potassium Cation3×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 1230571-(Bromomethyl)-2-(trifluoromethyl)benzeneHCID 86647121HCID 86647121, compoundHCID 86647122HCID 86647122, compound

Product 1

HCID 86647120HCID 86647120, compound

Sources & evidence

ORD record
ord-bf2aa5dfcc48473db14c9d3557a9ebec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…