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

HRID 91420Notes

Reaction equation

HRID 91420 reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:35][C:36](=[O:37])[OH:38].[Cl:1][c:2]1[n:3][c:4]([NH:18][CH3:19])[c:5]2[c:6]([n:7]1)[CH:8]([c:11]1[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[CH2:9][CH2:10]2.[Cl:20][c:21]1[n:22][cH:23][n:24](-[c:26]2[c:27]([O:33][CH3:34])[cH:28][c:29]([NH2:30])[cH:31][cH:32]2)[cH:25]1>>[c:2]1([NH:30][c:29]2[cH:28][c:27]([O:33][CH3:34])[c:26](-[n:24]3[cH:23][n:22][c:21]([Cl:20])[cH:25]3)[cH:32][cH:31]2)[n:3][c:4]([NH:18][CH3:19])[c:5]2[c:6]([n:7]1)[CH:8]([c:11]1[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[CH2:9][CH2:10]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 8028TetrahydrofuranHCID 58075719HCID 58075719, compoundHCID 580757574-(4-chloro-1H-imidazol-1-yl)-3-methoxyaniline

Product 1

HCID 58075817N2-(4-(4-Chloro-1H-imidazol-1-yl)-3-methoxyphenyl)-7-(4-chlorophenyl)-N4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-858d240b2e7f4628bfe15ebbfca6a980
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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