Sodium ion → 10-[5-Fluoro-2-(acetoxymethyl)-3-{1-methyl-5-[(6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)amino]-6-oxo-1,6-dihydropyridin-3-yl]phenyl}-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one

HRID 196334Notes

Reaction equation

HRID 196334 reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][c:13]3[c:18]([cH:19][cH:20]2)[CH2:17][N:16]([CH3:21])[CH2:15][CH2:14]3)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1.[C:22]([CH3:23])(=[O:24])[O:25][CH2:26][c:27]1[c:28]([B:49]2[O:50][C:51]([CH3:52])([CH3:53])[C:54]([CH3:55])([CH3:56])[O:57]2)[cH:29][c:30]([F:48])[cH:31][c:32]1[N:33]1[C:34](=[O:47])[c:35]2[cH:36][c:37]3[c:41]([n:42]2[CH2:43][CH2:44]1)[CH2:40][C:39]([CH3:45])([CH3:46])[CH2:38]3.[C:58](=[O:59])([O-:60])[O-:61].[CH3:64][O:65][CH2:66][CH2:67][O:68][CH3:69].[Na+:62].[Na+:63].[cH:70]1[cH:71][cH:72][c:73]([P:74]([Pd:75]([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[P:114]([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)([c:133]2[cH:134][cH:135][cH:136][cH:137][cH:138]2)[c:139]2[cH:140][cH:141][cH:142][cH:143][cH:144]2)[cH:145][cH:146]1>>[c:2]1(-[c:28]2[c:27]([CH2:26][O:25][C:22]([CH3:23])=[O:24])[c:32]([N:33]3[C:34](=[O:47])[c:35]4[cH:36][c:37]5[c:41]([n:42]4[CH2:43][CH2:44]3)[CH2:40][C:39]([CH3:45])([CH3:46])[CH2:38]5)[cH:31][c:30]([F:48])[cH:29]2)[cH:3][c:4]([NH:10][c:11]2[n:12][c:13]3[c:18]([cH:19][cH:20]2)[CH2:17][N:16]([CH3:21])[CH2:15][CH2:14]3)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 670162322-(7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)-4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetateHCID 670162655-Bromo-1-methyl-3-(6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyridin-2(1H)-oneHCID 178420554HCID 178420554, compound

Product 1

HCID 8666125110-[5-Fluoro-2-(acetoxymethyl)-3-{1-methyl-5-[(6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)amino]-6-oxo-1,6-dihydropyridin-3-yl]phenyl}-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one

Sources & evidence

ORD record
ord-8e2446efedcd40a0881725e015bc47d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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