Hydrochloric Acid → 4-[2-(4-Nitrobenzoylamino)benzoylamino]butanoic acid

HRID 167778

Reaction equation

HRID 167778 reaction equation
[CH2:44]([Cl:45])[Cl:46].[CH3:17][Si:18]([Cl:19])([CH3:20])[CH3:21].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[ClH:43].[N+:29](=[O:30])([O-:31])[c:32]1[cH:33][cH:34][c:35]([C:36](=[O:37])[Cl:38])[cH:39][cH:40]1.[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][CH2:8][CH2:9][C:10](=[O:11])[OH:12])[cH:13][cH:14][cH:15][cH:16]1.[Na+:42].[OH-:41]>>[NH:1]([c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][CH2:8][CH2:9][C:10](=[O:11])[OH:12])[cH:13][cH:14][cH:15][cH:16]1)[C:36]([c:35]1[cH:34][cH:33][c:32]([N+:29](=[O:30])[O-:31])[cH:40][cH:39]1)=[O:37]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 6344DichloromethaneHCID 6397ChlorotrimethylsilaneHCID 8471TriethylamineHCID 85024-Nitrobenzoyl chlorideHCID 8857Ethyl AcetateHCID 134423754-(2-Aminobenzamido)butanoic acid

Product 1

HCID 231185624-[2-(4-Nitrobenzoylamino)benzoylamino]butanoic acid

Sources & evidence

ORD record
ord-e7907caaa870459eb9c455ea59e47a82
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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