Hydrochloric Acid → Hydrochloric Acid

HRID 115001Notes

Reaction equation

HRID 115001 reaction equation
[C:46](#[N:47])[CH3:48].[CH3:1][N:2]([C:3]([CH2:4][N:5]([C:6]([CH2:7][NH:8][C:9](=[O:10])[NH:11][c:12]1[cH:13][c:14]([N+:18]([O-:19])=[O:20])[cH:15][cH:16][cH:17]1)=[O:21])[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)=[O:28])[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:36][CH2:37][OH:38].[CH:39]([O:40][CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[CH:49]([O:50][CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[ClH:35]>>[CH3:1][N:2]([C:3]([CH2:4][N:5]([C:6]([CH2:7][NH:8][C:9](=[O:10])[NH:11][c:12]1[cH:13][c:14]([NH2:18])[cH:15][cH:16][cH:17]1)=[O:21])[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)=[O:28])[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[ClH:35]

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 702EthanolHCID 6342AcetonitrileHCID 7914Diisopropyl Ether2×HCID 14996988N-methyl-2-{2-[3-(3-nitrophenyl)ureido]-N-phenylacetamido}-N-phenylacetamide

Product 2

HCID 313Hydrochloric AcidHCID 149969932-[(3-aminophenyl)carbamoylamino]-N-[2-(N-methylanilino)-2-oxoethyl]-N-phenylacetamide

Sources & evidence

ORD record
ord-39dfe3d1cb1941c7b75fd3ea5ac23902
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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