Sodium ion → HCID 67016342, compound

HRID 2331806Notes

Reaction equation

HRID 2331806 reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([CH:17]3[CH2:18][CH2:19][N:20]([CH3:23])[CH2:21][CH2:22]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1.[C:24]([CH3:25])(=[O:26])[O:27][CH2:28][c:29]1[c:30]([N:44]2[C:45](=[O:57])[c:46]3[n:47]([c:48]4[c:53]([cH:54]3)[CH2:52][CH2:51][CH2:50][CH2:49]4)[CH2:55][CH2:56]2)[cH:31][cH:32][cH:33][c:34]1[B:35]1[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]1.[C:58](=[O:59])([O-:60])[O-:61].[CH3:64][O:65][CH2:66][CH2:67][O:68][CH3:69].[Cl:147][CH2:148][Cl:149].[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:34]2[c:29]([CH2:28][O:27][C:24]([CH3:25])=[O:26])[c:30]([N:44]3[C:45](=[O:57])[c:46]4[n:47]([c:48]5[c:53]([cH:54]4)[CH2:52][CH2:51][CH2:50][CH2:49]5)[CH2:55][CH2:56]3)[cH:31][cH:32][cH:33]2)[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([CH:17]3[CH2:18][CH2:19][N:20]([CH3:23])[CH2:21][CH2:22]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 6344DichloromethaneHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 580436455-Bromo-1-methyl-3-(5-(1-methylpiperidin-4-yl)pyridin-2-ylamino)pyridin-2(1H)-oneHCID 580438772-(2-(Acetoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-oneHCID 178420554HCID 178420554, compound

Product 1

HCID 67016342HCID 67016342, compound

Sources & evidence

ORD record
ord-5ae7d680d69c43e2adebe7023e20a827
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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