Sodium ion → HCID 86644029, compound

HRID 297473Notes

Reaction equation

HRID 297473 reaction equation
[CH2:1]([O:2][P:3]([O:4][CH2:5][CH3:6])(=[O:7])[CH2:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[CH3:8].[H-:15].[Na+:16].[O:17]=[c:18]1[n:19]([CH:45]2[CH2:46][CH2:47][C:48](=[O:51])[CH2:49][CH2:50]2)[c:20]2[n:21]([c:22]([CH2:39][CH2:40][CH3:41])[c:23]1[CH2:24][c:25]1[cH:26][cH:27][c:28](-[c:31]3[c:32]([C:37]#[N:38])[cH:33][cH:34][cH:35][cH:36]3)[cH:29][cH:30]1)[n:42][cH:43][n:44]2.[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[CH:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])=[C:48]1[CH2:47][CH2:46][CH:45]([n:19]2[c:18](=[O:17])[c:23]([CH2:24][c:25]3[cH:26][cH:27][c:28](-[c:31]4[c:32]([C:37]#[N:38])[cH:33][cH:34][cH:35][cH:36]4)[cH:29][cH:30]3)[c:22]([CH2:39][CH2:40][CH3:41])[n:21]3[c:20]2[n:44][cH:43][n:42]3)[CH2:50][CH2:49]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 13345Triethyl phosphonoacetateHCID 166653HydrideHCID 670088534'-{[5-Oxo-4-(4-oxocyclohexyl)-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile

Product 1

HCID 86644029HCID 86644029, compound

Sources & evidence

ORD record
ord-7601ba7748e54e5b8035103e575fdcf3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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