Acetic Acid → 1-(2-methoxy-4-(4-(methylamino)-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylamino)phenyl)-1H-imidazole-4-carbonitrile

HRID 1126526Notes

Reaction equation

HRID 1126526 reaction equation
[C:35]([OH:36])(=[O:37])[CH3:38].[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.[NH2:19][c:20]1[cH:21][c:22]([O:33][CH3:34])[c:23](-[n:26]2[cH:27][n:28][c:29]([C:31]#[N:32])[cH:30]2)[cH:24][cH:25]1.[Na+:40].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[OH-:39]>>[c:2]1([NH:19][c:20]2[cH:21][c:22]([O:33][CH3:34])[c:23](-[n:26]3[cH:27][n:28][c:29]([C:31]#[N:32])[cH:30]3)[cH:24][cH:25]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

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 312751,4-DioxaneHCID 580752952-chloro-N-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amineHCID 667086684-(4-cyano-1H-imidazol-1-yl)-3-methoxyaniline

Product 1

HCID 509129111-(2-methoxy-4-(4-(methylamino)-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylamino)phenyl)-1H-imidazole-4-carbonitrile

Sources & evidence

ORD record
ord-d7ad576bedfc4d1e9a8a4b7382ce9102
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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