Hydrochloric Acid → 3-Benzamido-2-[[2-chloro-4-[[(3-hydroxybenzoyl)amino]methyl]benzoyl]amino]propanoic acid

HRID 1536623Notes

Reaction equation

HRID 1536623 reaction equation
[CH3:67][OH:68].[CH:37]1([N:38]=[C:39]=[N:40][CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]1.[ClH:55].[Li+:54].[NH2:1][CH2:2][c:3]1[cH:4][c:5]([Cl:26])[c:6]([C:7](=[O:8])[NH:9][CH:10]([CH2:11][NH:12][C:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)=[O:20])[C:21](=[O:22])[OH:23])[cH:24][cH:25]1.[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH-:53].[OH2:52].[OH2:66].[OH:27][C:28](=[O:29])[c:30]1[cH:31][cH:32][cH:33][c:34]([OH:35])[cH:36]1>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]([Cl:26])[c:6]([C:7](=[O:8])[NH:9][CH:10]([CH2:11][NH:12][C:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)=[O:20])[C:21](=[O:22])[OH:23])[cH:24][cH:25]1)[C:28](=[O:27])[c:30]1[cH:31][cH:32][cH:33][c:34]([OH:35])[cH:36]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 6228DimethylformamideHCID 74203-Hydroxybenzoic AcidHCID 8028TetrahydrofuranHCID 10868DicyclohexylcarbodiimideHCID 28486Lithium ionHCID 178509876HCID 178509876, compound

Product 1

HCID 226612903-Benzamido-2-[[2-chloro-4-[[(3-hydroxybenzoyl)amino]methyl]benzoyl]amino]propanoic acid

Sources & evidence

ORD record
ord-67e3177ef95b45659760756d4a8fa989
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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