Carbonate Ion → HCID 11502665, compound

HRID 676118Notes

Reaction equation

HRID 676118 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[Cl:1][c:2]1[cH:3][c:4]([NH:10][CH2:11][CH2:12][c:13]2[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]2)[n:5][c:6]([O:8][CH3:9])[n:7]1.[Cs+:40].[Cs+:41].[O:21]1[CH2:22][CH2:23][N:24]([c:27]2[cH:28][cH:29][c:30]([B:33]([OH:34])[OH:35])[cH:31][cH:32]2)[CH2:25][CH2:26]1.[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[c:2]1(-[c:30]2[cH:29][cH:28][c:27]([N:24]3[CH2:23][CH2:22][O:21][CH2:26][CH2:25]3)[cH:32][cH:31]2)[cH:3][c:4]([NH:10][CH2:11][CH2:12][c:13]2[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]2)[n:5][c:6]([O:8][CH3:9])[n:7]1

Participants

6

Reactant 5

HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 2795359(4-(Morpholin-4-yl)phenyl)boronic acidHCID 57636025(6-Chloro-2-methoxy-pyrimidin-4-yl)-[2-(4-methoxyphenyl)-ethyl]amineHCID 178420554HCID 178420554, compound

Product 1

HCID 11502665HCID 11502665, compound

Sources & evidence

ORD record
ord-3727381c5c0a457095b165d907b3cd0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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