1-Butanol → N-(3-chloro-4-fluorophenyl)-N'-(2-methyl-5-nitrophenyl)pyrimidine-4,6-diamine

HRID 2333687Notes

Reaction equation

HRID 2333687 reaction equation
[CH2:53]([OH:54])[CH2:55][CH2:56][CH3:57].[CH3:41][c:42]1[c:43]([NH2:44])[cH:45][c:46]([N+:49](=[O:50])[O-:51])[cH:47][cH:48]1.[CH3:58][CH2:59][O:60][C:61]([CH3:62])=[O:63].[Cl:25][c:26]1[cH:27][c:28]([C:29]2([NH2:30])[CH:31]=[C:32]([Cl:33])[N:34]=[CH:35][NH:36]2)[cH:37][cH:38][c:39]1[F:40].[ClH:52].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH3:6])[c:7]([NH:8][c:9]2[n:10][cH:11][n:12][c:13]([NH:15][c:16]3[cH:17][c:18]([Cl:23])[c:19]([F:22])[cH:20][cH:21]3)[cH:14]2)[cH:24]1>>[c:9]1([NH:44][c:43]2[c:42]([CH3:41])[cH:48][cH:47][c:46]([N+:49](=[O:50])[O-:51])[cH:45]2)[n:10][cH:11][n:12][c:13]([NH:15][c:16]2[cH:17][c:18]([Cl:23])[c:19]([F:22])[cH:20][cH:21]2)[cH:14]1

Participants

7

Reactant 6

HCID 2631-ButanolHCID 313Hydrochloric AcidHCID 74442-Methyl-5-NitroanilineHCID 8857Ethyl AcetateHCID 67316172N-(5-amino-2-methylphenyl)-N'-(3-chloro-4-fluorophenyl)pyrimidine-4,6-diamineHCID 178507140HCID 178507140, compound

Product 1

HCID 67316315N-(3-chloro-4-fluorophenyl)-N'-(2-methyl-5-nitrophenyl)pyrimidine-4,6-diamine

Sources & evidence

ORD record
ord-7e83e2942ab149fb987b8336f1e101c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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