Hydrochloric Acid → Methyl 2-[[2,6-dimethyl-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoate

HRID 2126450Notes

Reaction equation

HRID 2126450 reaction equation
[CH3:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[c:7]([CH3:26])[cH:8][c:9]([C:11](=[O:12])[NH:13][CH:14]([CH3:15])[c:16]2[cH:17][cH:18][cH:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]23)[cH:10]1.[CH3:55][O:56][C:57]([CH:58]([NH2:59])[CH2:60][NH:61][C:62](=[O:63])[c:64]1[s:65][cH:66][cH:67][cH:68]1)=[O:69].[CH3:82][CH2:83][O:84][C:85](=[O:86])[CH3:87].[CH:70]([N:71]([CH:72]([CH3:73])[CH3:74])[CH2:75][CH3:76])([CH3:77])[CH3:78].[Cl:79][CH2:80][Cl:81].[ClH:54].[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][P+:36]([N:37]([CH3:38])[CH3:39])([N:40]([CH3:41])[CH3:42])[N:43]([CH3:44])[CH3:45])[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[CH3:1][c:2]1[c:3]([C:4](=[O:5])[NH:59][CH:58]([C:57]([O:56][CH3:55])=[O:69])[CH2:60][NH:61][C:62](=[O:63])[c:64]2[s:65][cH:66][cH:67][cH:68]2)[c:7]([CH3:26])[cH:8][c:9]([C:11](=[O:12])[NH:13][CH:14]([CH3:15])[c:16]2[cH:17][cH:18][cH:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]23)[cH:10]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 226613442,6-Dimethyl-4-(1-naphthalen-1-ylethylcarbamoyl)benzoic acidHCID 22661369Methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate

Product 1

HCID 22661325Methyl 2-[[2,6-dimethyl-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoate

Sources & evidence

ORD record
ord-11dc6bfa719742458d309f07126958b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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