Sodium ion → tert-butyl 4-(4-(4-(7-methoxy-1,5-naphthyridin-4-ylthio)phenylamino)phthalazin-1-yl)-5,6-dihydropyridine-1(2H)-carboxylate

HRID 159387Notes

Reaction equation

HRID 159387 reaction equation
[CH2:60]1[O:61][CH2:62][CH2:63][O:64][CH2:65]1.[CH3:32][C:33]1([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38][B:39]([C:40]2=[CH:41][CH2:42][N:43]([C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:44][CH2:45]2)[O:53]1.[Cl:1][c:2]1[n:3][n:4][c:5]([NH:12][c:13]2[cH:14][cH:15][c:16]([S:19][c:20]3[cH:21][cH:22][n:23][c:24]4[cH:25][c:26]([O:30][CH3:31])[cH:27][n:28][c:29]34)[cH:17][cH:18]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[Na+:54].[Na+:55].[O-:56][C:57](=[O:58])[O-:59]>>[c:2]1([C:40]2=[CH:41][CH2:42][N:43]([C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:44][CH2:45]2)[n:3][n:4][c:5]([NH:12][c:13]2[cH:14][cH:15][c:16]([S:19][c:20]3[cH:21][cH:22][n:23][c:24]4[cH:25][c:26]([O:30][CH3:31])[cH:27][n:28][c:29]34)[cH:17][cH:18]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 4642098Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylateHCID 866286644-chloro-N-(4-(7-methoxy-1,5-naphthyridin-4-ylthio)phenyl)phthalazin-1-amine

Product 1

HCID 67317430tert-butyl 4-(4-(4-(7-methoxy-1,5-naphthyridin-4-ylthio)phenylamino)phthalazin-1-yl)-5,6-dihydropyridine-1(2H)-carboxylate

Sources & evidence

ORD record
ord-8a0a70912f544a86af1cddd5b634204b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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