Urea → 3-[1-Benzyl-3-(4-cyano-phenyl)-ureidomethyl]-benzoic acid methyl ester

HRID 188414

Reaction equation

HRID 188414 reaction equation
[C:20](#[N:21])[c:22]1[cH:23][cH:24][c:25]([N:28]=[C:29]=[O:30])[cH:26][cH:27]1.[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([CH2:10][NH:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:7][cH:8][cH:9]1)=[O:19].[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[NH2:31][C:32](=[O:33])[NH2:34].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([CH2:10][N:11]([CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[C:29]([NH:28][c:25]2[cH:24][cH:23][c:22]([C:20]#[N:21])[cH:27][cH:26]2)=[O:30])[cH:7][cH:8][cH:9]1)=[O:19]

Participants

6

Reactant 5

HCID 1176UreaHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 1703804-Cyanophenyl isocyanateHCID 591908593-(Benzylamino-methyl)-benzoic acid methyl ester

Product 1

HCID 591908863-[1-Benzyl-3-(4-cyano-phenyl)-ureidomethyl]-benzoic acid methyl ester

Sources & evidence

ORD record
ord-2e6156eb1f0e43e5839f8c48bbd03e9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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