Water → HCID 58486414, compound

HRID 151612Notes

Reaction equation

HRID 151612 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[CH2:41]1[O:42][CH2:43][CH2:44][O:45][CH2:46]1.[Cl:1][c:2]1[c:3]([CH3:24])[c:4]([CH3:23])[c:5]([N:8]2[CH2:9][CH2:10][CH:11]([N:14]([C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[CH3:22])[CH2:12][CH2:13]2)[n:6][n:7]1.[Cs+:39].[Cs+:40].[OH2:47].[OH:25][B:26]([OH:27])[c:28]1[cH:29][cH:30][c:31]([F:32])[cH:33][cH:34]1>>[c:2]1(-[c:28]2[cH:29][cH:30][c:31]([F:32])[cH:33][cH:34]2)[c:3]([CH3:24])[c:4]([CH3:23])[c:5]([N:8]2[CH2:9][CH2:10][CH:11]([N:14]([C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[CH3:22])[CH2:12][CH2:13]2)[n:6][n:7]1

Participants

7

Reactant 6

HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 2856454-Fluorophenylboronic acidHCID 58486430HCID 58486430, compound

Product 1

HCID 58486414HCID 58486414, compound

Sources & evidence

ORD record
ord-e88b9b6f973142d091765276950642b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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