Potassium Cation → 2-[[2-Chloro-4-(2-phenoxyacetyl)benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid

HRID 178140Notes

Reaction equation

HRID 178140 reaction equation
[C:48](=[O:49])([O-:50])[O-:51].[CH:54]([N:55]([CH:56]([CH3:57])[CH3:58])[CH2:59][CH3:60])([CH3:61])[CH3:62].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH:7]([CH2:8][NH:9][C:10](=[O:11])[c:12]2[s:13][cH:14][cH:15][cH:16]2)[C:17](=[O:18])[OH:19])[cH:20][cH:21][c:22]([Sn:24]([CH2:25][CH2:26][CH2:27][CH3:28])([CH2:29][CH2:30][CH2:31][CH3:32])[CH2:33][CH2:34][CH2:35][CH3:36])[cH:23]1.[K+:52].[K+:53].[O:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[CH2:44][C:45](=[O:46])[Cl:47].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH:7]([CH2:8][NH:9][C:10](=[O:11])[c:12]2[s:13][cH:14][cH:15][cH:16]2)[C:17](=[O:18])[OH:19])[cH:20][cH:21][c:22]([C:45]([CH2:44][O:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)=[O:46])[cH:23]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 69703Phenoxyacetyl chlorideHCID 81531DiisopropylethylamineHCID 178448217HCID 178448217, compound

Product 1

HCID 226613582-[[2-Chloro-4-(2-phenoxyacetyl)benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid

Sources & evidence

ORD record
ord-41d048f1c4d34a49902036b1d36222a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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