Bicarbonate Ion → 7-(4-fluorophenyl)-N2-(3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)-N4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine-2,4-diamine

HRID 2314967

Reaction equation

HRID 2314967 reaction equation
[CH3:20][O:21][c:22]1[cH:23][c:24]([NH2:25])[cH:26][cH:27][c:28]1-[n:29]1[n:30][c:31]([CH3:34])[n:32][cH:33]1.[CH3:45][N:46]1[CH2:47][CH2:48][CH2:49][C:50]1=[O:51].[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]([F:17])[cH:15][cH:16]1)[CH2:9][CH2:10]2.[Na+:44].[O-:40][C:41]([OH:42])=[O:43].[OH2:52].[S:35](=[O:36])(=[O:37])([OH:38])[OH:39]>>[c:2]1([NH:25][c:24]2[cH:23][c:22]([O:21][CH3:20])[c:28](-[n:29]3[n:30][c:31]([CH3:34])[n:32][cH:33]3)[cH:27][cH:26]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]([F:17])[cH:15][cH:16]1)[CH2:9][CH2:10]2

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 1118Sulfuric AcidHCID 13387N-methyl-2-pyrrolidoneHCID 580758122-chloro-7-(4-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amineHCID 595778183-Methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)aniline

Product 1

HCID 580753177-(4-fluorophenyl)-N2-(3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)-N4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-0c784e272a7f41c5ad52b6976a6d57cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

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