Sodium ion → (2,3-Dihydro-benzo[1,4]dioxin-6-ylmethyl)-{2-[2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-pyrrolidin-1-yl]-ethyl}-amine

HRID 187107Notes

Reaction equation

HRID 187107 reaction equation
[C:45]([O:46][BH-:47]([O:48][C:49](=[O:50])[CH3:51])[O:52][C:53](=[O:54])[CH3:55])(=[O:56])[CH3:57].[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[Na+:58].[Na+:60].[O:21]1[CH2:22][CH2:23][O:24][c:25]2[c:26]1[cH:27][cH:28][c:29]([CH:31]=[O:32])[cH:30]2.[O:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1.[OH-:59].[OH2:33].[c:34]1([CH3:35])[cH:36][cH:37][c:38]([S:39]([OH:40])(=[O:41])=[O:42])[cH:43][cH:44]1.[n:1]1(-[c:6]2[n:7][c:8]([CH3:20])[cH:9][c:10]([CH:12]3[N:13]([CH2:17][CH2:18][NH2:19])[CH2:14][CH2:15][CH2:16]3)[n:11]2)[cH:2][n:3][cH:4][cH:5]1>>[n:1]1(-[c:6]2[n:7][c:8]([CH3:20])[cH:9][c:10]([CH:12]3[N:13]([CH2:17][CH2:18][NH:19][CH2:31][c:29]4[cH:28][cH:27][c:26]5[c:25]([cH:30]4)[O:24][CH2:23][CH2:22][O:21]5)[CH2:14][CH2:15][CH2:16]3)[n:11]2)[cH:2][n:3][cH:4][cH:5]1

Participants

10

Reactant 9

HCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 2481272,3-Dihydro-1,4-benzodioxin-6-carbaldehydeHCID 2724942TriacetoxyborohydrideHCID 59551924HCID 59551924, compound

Product 1

HCID 59551907(2,3-Dihydro-benzo[1,4]dioxin-6-ylmethyl)-{2-[2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-pyrrolidin-1-yl]-ethyl}-amine

Sources & evidence

ORD record
ord-353641f3e52f45f39eeb71bbd7dad35b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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