Sodium ion → HCID 67008830, compound

HRID 90386Notes

Reaction equation

HRID 90386 reaction equation
[CH2:43]1[CH2:44][O:45][CH2:46][CH2:47][NH:48]1.[CH3:1][S:2]([O:3][CH2:6][CH2:7][O:8][CH:9]1[CH2:10][CH2:11][CH:12]([n:15]2[c:16]3[n:17]([c:18]([CH2:37][CH2:38][CH3:39])[c:19]([CH2:22][c:23]4[cH:24][cH:25][c:26](-[c:29]5[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]5)[cH:27][cH:28]4)[c:20]2=[O:21])[n:40][cH:41][n:42]3)[CH2:13][CH2:14]1)(=[O:4])=[O:5].[I-:50].[Na+:49].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1>>[CH2:6]([CH2:7][O:8][CH:9]1[CH2:10][CH2:11][CH:12]([n:15]2[c:16]3[n:17]([c:18]([CH2:37][CH2:38][CH3:39])[c:19]([CH2:22][c:23]4[cH:24][cH:25][c:26](-[c:29]5[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]5)[cH:27][cH:28]4)[c:20]2=[O:21])[n:40][cH:41][n:42]3)[CH2:13][CH2:14]1)[N:48]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8083MorpholineHCID 30165Iodide IonHCID 866440272-[(trans-4-{6-[(2'-cyanobiphenyl-4-yl)methyl]-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl]cyclohexyl)oxy}ethyl methanesulfonate

Product 1

HCID 67008830HCID 67008830, compound

Sources & evidence

ORD record
ord-cb634bf446ca4d3ba260525573f3eb86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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