Sodium ion → 2-(4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)phenyl)acetic acid

HRID 1212814Notes

Reaction equation

HRID 1212814 reaction equation
[CH3:20][C:21]1([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26][B:27]([c:28]2[cH:29][cH:30][c:31]([CH2:34][C:35](=[O:36])[OH:37])[cH:32][cH:33]2)[O:38]1.[CH3:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl:1][c:2]1[n:3][c:4]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[n:5][c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1.[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[Pd:57].[c:115]1([P:116]([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130][cH:131][cH:132][cH:133]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[cH:91][cH:92][cH:93][cH:94][cH:95]1.[c:96]1([P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[cH:110][cH:111][cH:112][cH:113][cH:114]1>>[c:2]1(-[c:28]2[cH:29][cH:30][c:31]([CH2:34][C:35](=[O:36])[OH:37])[cH:32][cH:33]2)[n:3][c:4]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[n:5][c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine4×HCID 19660Carbonate IonHCID 23938PalladiumHCID 2249672-Chloro-4,6-bis(morpholin-4-yl)-1,3,5-triazineHCID 37190022-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetic Acid

Product 1

HCID 674399772-(4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)phenyl)acetic acid

Sources & evidence

ORD record
ord-f5c441bc41124b4d83befc23cbd52413
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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