Acetic Acid → N2-(4-(4-chloro-1H-imidazol-1-yl)-3-methoxyphenyl)-N4-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

HRID 97683Notes

Reaction equation

HRID 97683 reaction equation
[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[CH3:39][C:40](=[O:41])[OH:42].[Cl:19][c:20]1[n:21][cH:22][n:23](-[c:25]2[c:26]([O:32][CH3:33])[cH:27][c:28]([NH2:29])[cH:30][cH:31]2)[cH:24]1.[Cl:1][c:2]1[n:3][c:4]([NH:17][CH3:18])[c:5]2[c:6]([n:7]1)[CH:8]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[CH2:9][CH2:10]2>>[c:2]1([NH:29][c:28]2[cH:27][c:26]([O:32][CH3:33])[c:25](-[n:23]3[cH:22][n:21][c:20]([Cl:19])[cH:24]3)[cH:31][cH:30]2)[n:3][c:4]([NH:17][CH3:18])[c:5]2[c:6]([n:7]1)[CH:8]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[CH2:9][CH2:10]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 8028TetrahydrofuranHCID 580752952-chloro-N-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amineHCID 580757574-(4-chloro-1H-imidazol-1-yl)-3-methoxyaniline

Product 1

HCID 50913637N2-(4-(4-chloro-1H-imidazol-1-yl)-3-methoxyphenyl)-N4-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-c842a4f92351467c8f2cdec35fb391d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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