Carbonate Ion → HCID 66662070, compound

HRID 179160Notes

Reaction equation

HRID 179160 reaction equation
[C:36]([P:37]([C:38]([CH3:39])([CH3:40])[CH3:41])[C:42]([CH3:43])([CH3:44])[CH3:45])([CH3:46])([CH3:47])[CH3:48].[C:49](=[O:50])([O-:51])[O-:52].[CH2:55]1[O:56][CH2:57][CH2:58][O:59][CH2:60]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:11](=[O:12])[N:13]3[CH2:14][C:15]4([O:16][C:17](=[O:24])[c:18]5[c:19]4[cH:20][cH:21][cH:22][cH:23]5)[CH2:25][CH2:26]3)[CH2:9][CH2:10]2)[cH:6][cH:7]1.[Cs+:53].[Cs+:54].[n:27]1[cH:28][n:29][cH:30][c:31]([B:33]([OH:34])[OH:35])[cH:32]1>>[c:2]1(-[c:31]2[cH:30][n:29][cH:28][n:27][cH:32]2)[cH:3][cH:4][c:5]([C:8]2([C:11](=[O:12])[N:13]3[CH2:14][C:15]4([O:16][C:17](=[O:24])[c:18]5[c:19]4[cH:20][cH:21][cH:22][cH:23]5)[CH2:25][CH2:26]3)[CH2:9][CH2:10]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 83681Tris(1,1-dimethylethyl)phosphineHCID 104967Cesium cation2×HCID 2795193(Pyrimidin-5-yl)boronic acidHCID 66661390HCID 66661390, compound

Product 1

HCID 66662070HCID 66662070, compound

Sources & evidence

ORD record
ord-534d72ef117445dba3b061be4100ed9a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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