Water → HCID 11719814, compound

HRID 688831Notes

Reaction equation

HRID 688831 reaction equation
[C:25](=[O:26])([OH:27])[C:28]([CH3:29])([CH3:30])[c:31]1[cH:32][c:33]([B:37]([OH:38])[OH:39])[cH:34][cH:35][cH:36]1.[C:40](=[O:41])([O-:42])[O-:43].[CH3:47][O:48][CH2:49][CH2:50][O:51][CH3:52].[CH3:53][C:54]#[N:55].[Cl:1][c:2]1[cH:3][c:4]([NH:10][CH2:11][CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[o:20][c:21]([CH3:24])[n:22][n:23]3)[cH:17][cH:18]2)[n:5][c:6]([O:8][CH3:9])[n:7]1.[Cs+:44].[Cs+:45].[OH2:46]>>[c:2]1(-[c:33]2[cH:32][c:31]([C:28]([C:25](=[O:26])[OH:27])([CH3:29])[CH3:30])[cH:36][cH:35][cH:34]2)[cH:3][c:4]([NH:10][CH2:11][CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[o:20][c:21]([CH3:24])[n:22][n:23]3)[cH:17][cH:18]2)[n:5][c:6]([O:8][CH3:9])[n:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 6342AcetonitrileHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 442489972-(3-Boronophenyl)-2-methylpropanoic acidHCID 86615703HCID 86615703, compound

Product 1

HCID 11719814HCID 11719814, compound

Sources & evidence

ORD record
ord-27bca3640fbf46879834c72f5950b8de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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