Hydrochloric Acid → Halofenate

HRID 1224143Notes

Reaction equation

HRID 1224143 reaction equation
[C:22]([NH:23][CH2:24][CH2:25][OH:26])(=[O:27])[CH3:28].[CH2:66]([Cl:67])[Cl:68].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[ClH:29].[ClH:30].[F:1][C:2]([F:3])([F:4])[c:5]1[cH:6][c:7]([O:18][CH:19]([c:10]2[cH:11][cH:12][c:13]([Cl:16])[cH:14][cH:15]2)[C:20]#[N:21])[cH:8][cH:9][cH:17]1.[F:31][C:32]([c:33]1[cH:34][c:35]([O:36][C:37]([C:38](=[O:39])[O:40][CH2:41][CH2:42][NH:43][C:44]([CH3:45])=[O:46])=[N:47][c:48]2[cH:49][cH:50][c:51]([Cl:52])[cH:53][cH:54]2)[cH:55][cH:56][cH:57]1)([F:58])[F:59].[OH2:65]>>[c:10]1([CH:37]([O:36][c:35]2[cH:34][c:33]([C:32]([F:31])([F:58])[F:59])[cH:57][cH:56][cH:55]2)[C:38](=[O:39])[O:40][CH2:41][CH2:42][NH:43][C:44]([CH3:45])=[O:46])[cH:11][cH:12][c:13]([Cl:16])[cH:14][cH:15]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8880AcetylethanolamineHCID 22767844HCID 22767844, compoundHCID 54140014HCID 54140014, compound

Product 1

HCID 33584Halofenate

Sources & evidence

ORD record
ord-5d8ee8bdc9fb4ca899e053cce8101170
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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