Water → N-(4-(6-Aminopyrimidin-4-yloxy)phenyl)-N'-phenylurea

Reaction equation

[CH3:25][CH2:26][O:27][C:28](=[O:29])[CH3:30].[CH3:32][N:33]([CH3:34])[CH:35]=[O:36].[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH2:13])[n:10][cH:11][n:12]2)[cH:14][cH:15]1.[O:16]=[C:17]=[N:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[OH2:31]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH2:13])[n:10][cH:11][n:12]2)[cH:14][cH:15]1)[C:17](=[O:16])[NH:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1

Participants

Reactant 5

HCID 962Water

HCID 6228Dimethylformamide

HCID 7672Phenyl isocyanate

HCID 8857Ethyl Acetate

HCID 229363746-(4-Amino-phenoxy)-pyrimidin-4-ylamine

Product 1

HCID 22936842N-(4-(6-Aminopyrimidin-4-yloxy)phenyl)-N'-phenylurea

Sources & evidence

ORD record: ord-204e0414977e4effbac173df677f8524
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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