Water → HCID 71045661, compound

HRID 2161868Notes

Reaction equation

HRID 2161868 reaction equation
[Br:1][c:2]1[s:3][c:4]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[cH:13][c:14]([CH3:26])[cH:15][c:16]([NH:18][C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[n:17]2)[c:5]([CH3:7])[n:6]1.[C:27](#[N:28])[c:29]1[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1.[C:38](=[O:39])([O-:40])[O-:41].[CH2:45]([CH2:46][O:47][CH3:48])[O:49][CH3:50].[Cs+:42].[Cs+:43].[OH2:44]>>[c:2]1(-[c:32]2[cH:31][cH:30][c:29]([C:27]#[N:28])[cH:34][cH:33]2)[s:3][c:4]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[cH:13][c:14]([CH3:26])[cH:15][c:16]([NH:18][C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[n:17]2)[c:5]([CH3:7])[n:6]1

Participants

7

Reactant 6

HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 27343264-Cyanophenylboronic acidHCID 58838506HCID 58838506, compound

Product 1

HCID 71045661HCID 71045661, compound

Sources & evidence

ORD record
ord-e27b6e5a04ce461987bf0a36df77bde8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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