Bicarbonate Ion → 3,3-Dimethyl-1-{[6-(5-methyl-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-ylamino]-methyl}-cyclohexanol

HRID 1118484Notes

Reaction equation

HRID 1118484 reaction equation
[C:33](=[O:34])([OH:35])[O-:36].[CH3:30][C:31]#[N:32].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[CH2:8][CH2:9][N:10]([c:12]1[n:13][cH:14][c:15]([CH3:18])[cH:16][cH:17]1)[CH2:11]2.[NH2:19][CH2:20][C:21]1([OH:29])[CH2:22][C:23]([CH3:27])([CH3:28])[CH2:24][CH2:25][CH2:26]1.[Na+:37]>>[c:2]1([NH:19][CH2:20][C:21]2([OH:29])[CH2:22][C:23]([CH3:27])([CH3:28])[CH2:24][CH2:25][CH2:26]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[CH2:8][CH2:9][N:10]([c:12]1[n:13][cH:14][c:15]([CH3:18])[cH:16][cH:17]1)[CH2:11]2

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 468357271-(Aminomethyl)-3,3-dimethylcyclohexanolHCID 593464574-Chloro-5,6,7,8-tetrahydro-6-(5-methylpyridin-2-yl)pyrido[4,3-d]pyrimidine

Product 1

HCID 593465433,3-Dimethyl-1-{[6-(5-methyl-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-ylamino]-methyl}-cyclohexanol

Sources & evidence

ORD record
ord-236faee39b1b4453a0bec5f119da7c3e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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