Acetone → HCID 57593128, compound

HRID 1555855Notes

Reaction equation

[BH4-:40].[CH3:36][C:37]([CH3:38])=[O:39].[NH2:1][CH2:2][c:3]1[cH:4][c:5]([CH2:9][CH:10]([CH3:11])[NH:12][c:13]2[n:14][cH:15][cH:16][c:17]([N:19]3[CH2:20][CH2:21][CH2:22][n:23]4[c:24]3[n:25][c:26](-[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:27][c:28]4=[O:29])[n:18]2)[cH:6][cH:7][cH:8]1.[Na+:41]>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]([CH2:9][CH:10]([CH3:11])[NH:12][c:13]2[n:14][cH:15][cH:16][c:17]([N:19]3[CH2:20][CH2:21][CH2:22][n:23]4[c:24]3[n:25][c:26](-[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:27][c:28]4=[O:29])[n:18]2)[cH:6][cH:7][cH:8]1)[CH:37]([CH3:36])[CH3:38]

Participants

Reactant 4

HCID 180Acetone

HCID 923Sodium ion

HCID 28123Borohydride

HCID 575931519-{2-[2-(3-Aminomethyl-phenyl)-1-methyl-ethylamino]-pyrimidin-4-yl}-2-phenyl-6,7,8,9-tetrahydro-pyrimido[1,2-a]pyrimidin-4-one

Product 1

HCID 57593128HCID 57593128, compound

Sources & evidence

ORD record: ord-6874b9674ffe47cc81df1364f664af81
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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