Toluene → 1-(4-(6-(4-Methoxybenzylamino)pyrimidin-4-yloxy)-3-fluorophenyl)-3-(2-(4-fluorophenyl)acetyl)urea

HRID 1538043Notes

Reaction equation

HRID 1538043 reaction equation
[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][NH:8][c:9]2[n:10][cH:11][n:12][c:13]([O:15][c:16]3[c:17]([F:23])[cH:18][c:19]([NH2:22])[cH:20][cH:21]3)[cH:14]2)[cH:24][cH:25]1.[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH:46]([O:47][CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[F:26][c:27]1[cH:28][cH:29][c:30]([CH2:33][C:34](=[O:35])[N:36]=[C:37]=[O:38])[cH:31][cH:32]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][NH:8][c:9]2[n:10][cH:11][n:12][c:13]([O:15][c:16]3[c:17]([F:23])[cH:18][c:19]([NH:22][C:37]([NH:36][C:34]([CH2:33][c:30]4[cH:29][cH:28][c:27]([F:26])[cH:32][cH:31]4)=[O:35])=[O:38])[cH:20][cH:21]3)[cH:14]2)[cH:24][cH:25]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 7914Diisopropyl EtherHCID 8028TetrahydrofuranHCID 231530882-(4-Fluorophenyl)acetyl isocyanateHCID 59301603N-(4-Methoxybenzyl)-6-(4-amino-2-fluorophenoxy)pyrimidin-4-amine

Product 1

HCID 115698931-(4-(6-(4-Methoxybenzylamino)pyrimidin-4-yloxy)-3-fluorophenyl)-3-(2-(4-fluorophenyl)acetyl)urea

Sources & evidence

ORD record
ord-dc0932adb6154ee19d1772b62b86f66a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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