Sodium ion → ethyl 2-[5-[3-[[2-(4-ethylphenyl)-5-methylpyrimidin-4-yl]-methylamino]propoxy]-2,3-dihydro-1H-inden-1-yl]acetate

HRID 1146868Notes

Reaction equation

HRID 1146868 reaction equation
[C:48](=[O:49])([O-:50])[O-:51].[CH2:37]([CH3:38])[c:39]1[cH:40][cH:41][c:42]([B:45]([OH:46])[OH:47])[cH:43][cH:44]1.[CH2:60]1[O:61][CH2:62][CH2:63][O:64][CH2:65]1.[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[Cl:8][c:9]1[n:10][cH:11][c:12]([CH3:36])[c:13]([N:15]([CH2:16][CH2:17][CH2:18][O:19][c:20]2[cH:21][c:22]3[c:26]([cH:27][cH:28]2)[CH:25]([CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[CH2:24][CH2:23]3)[CH3:35])[n:14]1.[Na+:52].[Na+:53]>>[c:9]1(-[c:42]2[cH:41][cH:40][c:39]([CH2:37][CH3:38])[cH:44][cH:43]2)[n:10][cH:11][c:12]([CH3:36])[c:13]([N:15]([CH2:16][CH2:17][CH2:18][O:19][c:20]2[cH:21][c:22]3[c:26]([cH:27][cH:28]2)[CH:25]([CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[CH2:24][CH2:23]3)[CH3:35])[n:14]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 2734352Boronic acid, (4-ethylphenyl)-HCID 178470620HCID 178470620, compound

Product 1

HCID 178470614ethyl 2-[5-[3-[[2-(4-ethylphenyl)-5-methylpyrimidin-4-yl]-methylamino]propoxy]-2,3-dihydro-1H-inden-1-yl]acetate

Sources & evidence

ORD record
ord-5997e23002784f6b95f7140f3d5114a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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