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

HRID 663973Notes

Reaction equation

HRID 663973 reaction equation
[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:36][C:37](=[O:38])[OH:39].[Cl:1][c:2]1[n:3][c:4]([N:18]([CH3:19])[CH3:20])[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:21][c:22]1[n:23][cH:24][n:25](-[c:27]2[c:28]([O:34][CH3:35])[cH:29][c:30]([NH2:31])[cH:32][cH:33]2)[cH:26]1>>[c:2]1([NH:31][c:30]2[cH:29][c:28]([O:34][CH3:35])[c:27](-[n:25]3[cH:24][n:23][c:22]([Cl:21])[cH:26]3)[cH:33][cH:32]2)[n:3][c:4]([N:18]([CH3:19])[CH3:20])[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 580757574-(4-chloro-1H-imidazol-1-yl)-3-methoxyanilineHCID 580758052-chloro-7-(4-chlorophenyl)-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

Product 1

HCID 58075734N2-(4-(4-Chloro-1H-imidazol-1-yl)-3-methoxyphenyl)-7-(4-chlorophenyl)-N4,N4-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-e82234ea9d14453abb430fb4ad3ed97e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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