Sodium ion → HCID 178438561, compound

HRID 2134993Notes

Reaction equation

HRID 2134993 reaction equation
[B:51]([F:52])([F:53])[F:54].[C:42]([BH3-:43])#[N:44].[CH2:46]([O:47][CH2:48][CH3:49])[CH3:50].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[Na+:45].[O:1]=[c:2]1[n:3]([CH:29]2[CH2:30][CH2:31][C:32]3([CH2:33][CH2:34]2)[O:35][CH:36]2[CH:37]([O:38]3)[CH2:39][CH2:40][CH2:41]2)[c:4]2[n:5]([c:6]([CH2:23][CH2:24][CH3:25])[c:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21]#[N:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[n:26][cH:27][n:28]2.[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1>>[O:1]=[c:2]1[n:3]([CH:29]2[CH2:30][CH2:31][CH:32]([O:35][CH:36]3[CH:37]([OH:38])[CH2:39][CH2:40][CH2:41]3)[CH2:33][CH2:34]2)[c:4]2[n:5]([c:6]([CH2:23][CH2:24][CH3:25])[c:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21]#[N:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[n:26][cH:27][n:28]2

Participants

8

Reactant 7

HCID 923Sodium ionHCID 3283Diethyl EtherHCID 6356Boron trifluorideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 498716Cyano-borohydrideHCID 1784385602-[4-[(5-oxo-7-propyl-4-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,4'-cyclohexane]-1'-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzonitrile

Product 1

HCID 178438561HCID 178438561, compound

Sources & evidence

ORD record
ord-e6ec58983a6346169401a80f22954894
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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