Chloride → {[5-Bromo-2-({3-Chloro-4-[(2-methylphenyl)carbonyl]phenyl}amino)benzyl]oxy}ethyl (diethoxyphosphoryl)acetate

HRID 805323Notes

Reaction equation

HRID 805323 reaction equation
[Br:17][c:18]1[cH:19][c:20]([CH2:41][O:42][CH2:43][CH2:44][OH:45])[c:21]([NH:24][c:25]2[cH:26][c:27]([Cl:40])[c:28]([C:31](=[O:32])[c:33]3[c:34]([CH3:39])[cH:35][cH:36][cH:37][cH:38]3)[cH:29][cH:30]2)[cH:22][cH:23]1.[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([O:6][CH2:7][CH3:8])[CH2:9][C:10](=[O:11])[OH:12].[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[Cl-:46].[Na+:69].[O-:65][C:66]([OH:67])=[O:68].[S:13]([Cl:14])([Cl:15])=[O:16]>>[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([O:6][CH2:7][CH3:8])[CH2:9][C:10](=[O:11])[O:12][CH2:44][CH2:43][O:42][CH2:41][c:20]1[cH:19][c:18]([Br:17])[cH:23][cH:22][c:21]1[NH:24][c:25]1[cH:26][c:27]([Cl:40])[c:28]([C:31](=[O:32])[c:33]2[c:34]([CH3:39])[cH:35][cH:36][cH:37][cH:38]2)[cH:29][cH:30]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 1140TolueneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 24386Thionyl ChlorideHCID 36704(Diethoxyphosphinyl)acetic acidHCID 10227340[4-({4-Bromo-2-[(2-hydroxyethoxy)methyl]phenyl}amino)-2-chlorophenyl](2-methylphenyl)methanone

Product 1

HCID 86588591{[5-Bromo-2-({3-Chloro-4-[(2-methylphenyl)carbonyl]phenyl}amino)benzyl]oxy}ethyl (diethoxyphosphoryl)acetate

Sources & evidence

ORD record
ord-06fede68dccb485399eceafba093a60a
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

Loading…