Bicarbonate Ion → 4-(1-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine

HRID 91954Notes

Reaction equation

HRID 91954 reaction equation
[CH3:1][c:2]1[n:3][n:4]([CH:8]([CH3:9])[c:10]2[c:11]3[c:12]([n:13][c:14]([NH:16][c:17]4[cH:18][c:19]([O:29][CH3:30])[c:20](-[n:23]5[cH:24][n:25][c:26]([CH3:28])[cH:27]5)[cH:21][cH:22]4)[n:15]2)[CH2:31][CH2:32][N:33]([C:35]([O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41])[CH2:34]3)[c:5]([CH3:7])[cH:6]1.[Cl:54][CH2:55][Cl:56].[F:42][C:43]([F:44])([F:45])[C:46]([OH:47])=[O:48].[Na+:53].[O-:49][C:50]([OH:51])=[O:52]>>[CH3:1][c:2]1[n:3][n:4]([CH:8]([CH3:9])[c:10]2[c:11]3[c:12]([n:13][c:14]([NH:16][c:17]4[cH:18][c:19]([O:29][CH3:30])[c:20](-[n:23]5[cH:24][n:25][c:26]([CH3:28])[cH:27]5)[cH:21][cH:22]4)[n:15]2)[CH2:31][CH2:32][NH:33][CH2:34]3)[c:5]([CH3:7])[cH:6]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 59333720HCID 59333720, compound

Product 1

HCID 593337574-(1-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine

Sources & evidence

ORD record
ord-a99816a48ea8482fa252132e1221c498
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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