Toluene → N-[4-Methyl-3-(3-methyl-3-{6-[4-(4-methyl-piperazin-1-yl)-phenyl-amino]-pyrimidin-4-yl}-ureido)-phenyl]-3-trifluoromethyl-benzamide

HRID 2328237Notes

Reaction equation

HRID 2328237 reaction equation
[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH3:33][NH:34][c:35]1[n:36][cH:37][n:38][c:39]([NH:41][c:42]2[cH:43][cH:44][c:45]([N:48]3[CH2:49][CH2:50][N:51]([CH3:54])[CH2:52][CH2:53]3)[cH:46][cH:47]2)[cH:40]1.[Cl:22][C:23]([Cl:24])=[O:25].[NH2:1][c:2]1[cH:3][c:4]([NH:9][C:10]([c:11]2[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][cH:16]2)=[O:21])[cH:5][cH:6][c:7]1[CH3:8].[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1>>[NH:1]([c:2]1[cH:3][c:4]([NH:9][C:10]([c:11]2[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][cH:16]2)=[O:21])[cH:5][cH:6][c:7]1[CH3:8])[C:23](=[O:25])[N:34]([CH3:33])[c:35]1[n:36][cH:37][n:38][c:39]([NH:41][c:42]2[cH:43][cH:44][c:45]([N:48]3[CH2:49][CH2:50][N:51]([CH3:54])[CH2:52][CH2:53]3)[cH:46][cH:47]2)[cH:40]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 6371PhosgeneHCID 312751,4-DioxaneHCID 11529455N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamideHCID 66669969N-methyl-N'-[4-(4-methyl-piperazin-1-yl)-phenyl]-pyrimidine-4,6-diamine

Product 1

HCID 11592548N-[4-Methyl-3-(3-methyl-3-{6-[4-(4-methyl-piperazin-1-yl)-phenyl-amino]-pyrimidin-4-yl}-ureido)-phenyl]-3-trifluoromethyl-benzamide

Sources & evidence

ORD record
ord-84d9e0212bcd4129839c06f2f164c53d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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