Sodium ion → 4-(2-((2,2-dimethyl-4-(oxetan-3-yl)piperazin-1-yl)methyl)-5-(2-ethyl-1H-benzo[d]imidazol-1-yl)thiazolo[5,4-d]pyrimidin-7-yl)morpholine

HRID 294000Notes

Reaction equation

HRID 294000 reaction equation
[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[c:11]3[c:12]([n:13]1)[s:14][c:15]([CH:17]=[O:18])[n:16]3)[cH:25][cH:26][cH:27][cH:28]2.[CH3:29][C:30]1([CH3:40])[CH2:31][N:32]([CH:36]2[CH2:37][O:38][CH2:39]2)[CH2:33][CH2:34][NH:35]1.[Na+:54]>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[c:11]3[c:12]([n:13]1)[s:14][c:15]([CH2:17][N:35]1[C:30]([CH3:29])([CH3:40])[CH2:31][N:32]([CH:36]4[CH2:37][O:38][CH2:39]4)[CH2:33][CH2:34]1)[n:16]3)[cH:25][cH:26][cH:27][cH:28]2

Participants

5

Reactant 4

HCID 923Sodium ionHCID 2724942TriacetoxyborohydrideHCID 596058695-(2-Ethylbenzoimidazol-1-yl)-7-morpholin-4-ylthiazolo[5,4-d]pyrimidine-2-carbaldehydeHCID 674922623,3-Dimethyl-1-(oxetan-3-yl)piperazine

Product 1

HCID 596052774-(2-((2,2-dimethyl-4-(oxetan-3-yl)piperazin-1-yl)methyl)-5-(2-ethyl-1H-benzo[d]imidazol-1-yl)thiazolo[5,4-d]pyrimidin-7-yl)morpholine

Sources & evidence

ORD record
ord-a106cd7d2727456e98bc5897d75f1884
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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