Hydrochloric Acid → 2-[[2,6-Dichloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid

HRID 290833Notes

Reaction equation

HRID 290833 reaction equation
[CH3:100][N:101]([CH3:102])[CH:103]=[O:104].[CH3:42][O:43][C:44](=[O:45])[CH:46]([CH2:47][NH:48][C:49]([c:50]1[s:51][cH:52][cH:53][cH:54]1)=[O:55])[NH2:56].[CH:91]([N:92]([CH:93]([CH3:94])[CH3:95])[CH2:96][CH3:97])([CH3:98])[CH3:99].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[c:7]([Cl: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.[ClH:41].[OH:81][n:82]1[c:83]2[c:84]([cH:85][cH:86][cH:87][cH:88]2)[n:89][n:90]1.[P-:57]([F:58])([F:59])([F:60])([F:61])([F:62])[F:63].[n:64]1([O:65][C:66]([N:67]([CH3:68])[CH3:69])=[N+:70]([CH3:71])[CH3:72])[c:73]2[cH:74][cH:75][cH:76][cH:77][c:78]2[n:79][n:80]1.[s:27]1[c:28]([C:32](=[O:33])[NH:34][CH2:35][CH:36]([NH2:37])[C:38](=[O:39])[OH:40])[cH:29][cH:30][cH:31]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:37][CH:36]([CH2:35][NH:34][C:32]([c:28]2[s:27][cH:31][cH:30][cH:29]2)=[O:33])[C:38](=[O:39])[OH:40])[c:7]([Cl: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

10

Reactant 9

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 226612032,6-Dichloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoic acidHCID 226612782-Amino-3-(thiophene-2-carbonylamino)propanoic acidHCID 22661369Methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate

Product 1

HCID 226612172-[[2,6-Dichloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid

Sources & evidence

ORD record
ord-5a8b0b711799413896420242540e010b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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